3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine

C10H17N3 — CID 115639457

IUPAC3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
SMILESc1ncc(CNCCCC2CC2)[nH]1
InChIInChI=1S/C10H17N3/c1(2-9-3-4-9)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyRPTUQXHSNMSERV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.69
Rot. Bonds6

About 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine

3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine (PubChem CID 115639457) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
PubChem CID115639457
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
SMILESc1ncc(CNCCCC2CC2)[nH]1
InChIInChI=1S/C10H17N3/c1(2-9-3-4-9)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyRPTUQXHSNMSERV-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)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

2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115690231
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411694
N-cyclopropyl-4-(1H-imidazol-5-ylmethylamino)butanamide
CID 78921180
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62763210
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
CID 62761589

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine (CID 115639457) is 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine is c1ncc(CNCCCC2CC2)[nH]1.
What is the InChIKey of 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The InChIKey is RPTUQXHSNMSERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1(2-9-3-4-9)5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 115639457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).