1-(2-methylimidazol-1-yl)propan-1-amine

C7H13N3 — CID 18183771

IUPAC1-(2-methylimidazol-1-yl)propan-1-amine
SMILESCCC(N)n1ccnc1C
InChIInChI=1S/C7H13N3/c1-3-7(8)10-5-4-9-6(10)2/h4-5,7H,3,8H2,1-2H3
InChIKeyHQZHOPHDFHIYLM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.06
Rot. Bonds2

About 1-(2-methylimidazol-1-yl)propan-1-amine

1-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 18183771) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID18183771
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(2-methylimidazol-1-yl)propan-1-amine
SMILESCCC(N)n1ccnc1C
InChIInChI=1S/C7H13N3/c1-3-7(8)10-5-4-9-6(10)2/h4-5,7H,3,8H2,1-2H3
InChIKeyHQZHOPHDFHIYLM-UHFFFAOYSA-N
XLogP1.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylimidazol-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
CID 62446670
2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
CID 62446855
2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
CID 165475254
3-(2-methylimidazol-1-yl)hexan-2-one
CID 139677914
N-ethyl-2-(2-methylimidazol-1-yl)pentan-1-amine
CID 83046025
6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
CID 175121213
N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
CID 79409202
3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
CID 62780394
3-methyl-2-(2-methylimidazol-1-yl)-1-phenylbutan-1-amine
CID 16784760
ethyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801216
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of 1-(2-methylimidazol-1-yl)propan-1-amine (CID 18183771) is 1-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-methylimidazol-1-yl)propan-1-amine is CCC(N)n1ccnc1C.
What is the InChIKey of 1-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is HQZHOPHDFHIYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-7(8)10-5-4-9-6(10)2/h4-5,7H,3,8H2,1-2H3.
What are the key properties of 1-(2-methylimidazol-1-yl)propan-1-amine?
1-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 18183771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).