1,2-Dimethylpropylamine

Details

• Internal ID: ef57c7d7-597f-4197-9f23-23cba6c0140d
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines > Monoalkylamines
• IUPAC Name: 3-methylbutan-2-amine
• SMILES (Canonical): CC(C)C(C)N
• SMILES (Isomeric): CC(C)C(C)N
• InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
• InChI Key: JOZZAIIGWFLONA-UHFFFAOYSA-N
• Popularity: 22 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₃N
• Molecular Weight: 87.16 g/mol
• Exact Mass: 87.104799419 g/mol
• Topological Polar Surface Area (TPSA): 26.00 Ų
• XlogP: 1.00

Synonyms

• 598-74-3
• 3-methylbutan-2-amine
• 2-Butanamine, 3-methyl-
• 3-Methyl-2-butanamine
• 2-Amino-3-methylbutane
• 1,2-Dimethylpropanamine
• 3-Methyl-2-butylamine
• PROPYLAMINE, 1,2-DIMETHYL-
• 1,2-dimethyl-propylamine
• (+/-)-3-methyl-2-butylamine
• 3-Methyl-2-aminobutane
• 1P7J19TM9E
• BRN 0635656
• EINECS 209-949-7
• UNII-1P7J19TM9E
• 1,2-dimethylpropyl amine
• 1,2-dimethyl propyl amine
• rac-3-methylbutan-2-amine
• 2-04-00-00644 (Beilstein Handbook Reference)
• (+)-1,2-dimethylpropylamine
• DTXSID4022074
• JOZZAIIGWFLONA-UHFFFAOYSA-
• (+/-)-1,2-dimethylpropylamine
• 1,2-Dimethylpropylamine, >=98%
• 1,2-Dimethylpropanamine; 1,2-Dimethylpropylamine; 2-Amino-3-methylbutane; 3-Methyl-2-aminobutane; 3-Methyl-2-butanamine; 3-Methyl-2-butylamine
• AMY14243
• BCA04372
• STR03552
• MFCD00008081
• AKOS000264488
• AKOS017278472
• SB13415
• SB75365
• (+/-)-3-METHYL-2-BUTANAMINE
• BP-10274
• J71.080F
• FT-0605156
• FT-0605330
• FT-0616062
• EN300-20873
• Q27252708
• InChI=1/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.00%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	83.49%	93.31%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	82.40%	97.23%

Plants that contains it

• Vitis vinifera

Cross-Links

• PubChem: 11731
• LOTUS: LTS0177552
• wikiData: Q27252708