1-N-(1H-imidazol-2-yl)propane-1,2-diamine

C6H12N4 — CID 139950297

IUPAC1-N-(1H-imidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc[nH]1
InChIInChI=1S/C6H12N4/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3,(H2,8,9,10)
InChIKeyLFJPBDGFHIHOLS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.17
Rot. Bonds3

About 1-N-(1H-imidazol-2-yl)propane-1,2-diamine

1-N-(1H-imidazol-2-yl)propane-1,2-diamine (PubChem CID 139950297) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-N-(1H-imidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1H-imidazol-2-yl)propane-1,2-diamine
PubChem CID139950297
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-N-(1H-imidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc[nH]1
InChIInChI=1S/C6H12N4/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3,(H2,8,9,10)
InChIKeyLFJPBDGFHIHOLS-UHFFFAOYSA-N
XLogP0.17
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-(1H-imidazol-2-yl)propane-1,2-diamine 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

N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580953
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
CID 106581604
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-imidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(1H-imidazol-2-yl)propane-1,2-diamine (CID 139950297) is 1-N-(1H-imidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(1H-imidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(1H-imidazol-2-yl)propane-1,2-diamine is CC(N)CNc1ncc[nH]1.
What is the InChIKey of 1-N-(1H-imidazol-2-yl)propane-1,2-diamine?
The InChIKey is LFJPBDGFHIHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-N-(1H-imidazol-2-yl)propane-1,2-diamine?
1-N-(1H-imidazol-2-yl)propane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-imidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 139950297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).