Hexylamine

Details

• Internal ID: ef6fb485-296d-4069-865f-9e388a1dc416
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines > Monoalkylamines
• IUPAC Name: hexan-1-amine
• InChI: InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
• InChI Key: BMVXCPBXGZKUPN-UHFFFAOYSA-N
• Popularity: 1,536 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₅N
• Molecular Weight: 101.19 g/mol
• Exact Mass: 101.120449483 g/mol
• Topological Polar Surface Area (TPSA): 26.00 Ų
• XlogP: 2.10

Synonyms

• 111-26-2
• n-Hexylamine
• hexan-1-amine
• 1-Aminohexane
• 1-HEXANAMINE
• 1-Hexylamine
• Mono-n-hexylamine
• NSC 2590
• EINECS 203-851-8
• UNII-CI4E002ZV8
• ENT 16554
• hexanamine
• BRN 1731298
• CHEBI:5712
• CI4E002ZV8
• DTXSID3021930
• AI3-16554
• NSC-2590
• DTXCID801930
• FEMA NO. 4243
• HSDB 8444
• EC 203-851-8
• 4-04-00-00709 (Beilstein Handbook Reference)
• Hexyl amine
• MFCD00008240
• hexyl-amine
• pentylmethanamine
• n-n-hexylamine
• n-hexyl amine
• hexane-1-amine
• Hexyl amine-1
• Hexylamine, 99%
• HEXYLAMINE [FHFI]
• SCHEMBL15939
• n-C6H13NH2
• WLN: Z6
• Hexylamine, analytical standard
• CHEMBL1320720
• NSC2590
• AMY21942
• Tox21_200036
• AKOS000119866
• Hexylamine, purum, >=98.0% (GC)
• NCGC00091816-01
• NCGC00091816-02
• NCGC00257590-01
• BP-30167
• BP-31178
• CAS-111-26-2
• VS-02837
• FT-0607346
• H0134
• EN300-19756
• C08306
• Q426238
• J-002548
• F2191-0288
• InChI=1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1963	P16473	Thyroid stimulating hormone receptor	15.8 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2885	P07451	Carbonic anhydrase III	94.80%	87.45%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	93.10%	92.86%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	92.56%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.46%	96.09%
CHEMBL230	P35354	Cyclooxygenase-2	90.11%	89.63%
CHEMBL2996	Q05655	Protein kinase C delta	88.10%	97.79%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.83%	92.08%
CHEMBL4581	P52732	Kinesin-like protein 1	87.80%	93.18%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.19%	85.94%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.41%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.35%	96.95%
CHEMBL2581	P07339	Cathepsin D	84.80%	98.95%
CHEMBL3038469	P24941	CDK2/Cyclin A	81.44%	91.38%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	80.53%	94.01%
CHEMBL221	P23219	Cyclooxygenase-1	80.29%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 8102
• LOTUS: LTS0065270
• wikiData: Q426238