N,N-Dimethylisopropylamine

Details

• Internal ID: efd15ba9-21c9-4789-9722-b63c1ef99874
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Trialkylamines
• IUPAC Name: N,N-dimethylpropan-2-amine
• SMILES (Canonical): CC(C)N(C)C
• SMILES (Isomeric): CC(C)N(C)C
• InChI: InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3
• InChI Key: VMOWKUTXPNPTEN-UHFFFAOYSA-N
• Popularity: 39 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): 3.20 Ų
• XlogP: 1.10

Synonyms

• 996-35-0
• Dimethylisopropylamine
• N,N-dimethylpropan-2-amine
• 2-Propanamine, N,N-dimethyl-
• Isopropyldimethylamine
• Ethylamine, N,N,1-trimethyl-
• 2-Dimethylaminopropane
• UNII-WA4TE070J7
• WA4TE070J7
• DTXSID2033447
• EINECS 213-635-5
• Catalyst 704; Isopropyldimethylamine
• EC 213-635-5
• DMIPA
• dimethyl-isopropyl-amine
• (CH3)2(i-C3H7)N
• N-Isopropyldimethylamine
• NCGC00090995-01
• dimethyl-iso-propylamine
• N,N-Dimethylisopropylamin
• N,N-Dimethyllisopropylamine
• Dimethylisopropylamin, n,n-
• N,N-Dimethyl-2-propanamine #
• CHEMBL1524256
• DTXCID0013447
• AMY13340
• Tox21_200792
• MFCD00015014
• N,N-Dimethylisopropylamine, >=99%
• AKOS024438202
• NCGC00090995-02
• NCGC00258346-01
• CAS-996-35-0
• D1563
• FT-0629497
• D95726
• InChI=1/C5H13N/c1-5(2)6(3)4/h5H,1-4H
• Q23993292

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
CHEMBL2581	P07339	Cathepsin D	87.35%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.04%	96.09%

Plants that contains it

• Ephedra equisetina
• Ephedra intermedia

Cross-Links

• PubChem: 70452
• NPASS: NPC329501
• ChEMBL: CHEMBL1524256