N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine

C14H25N3 — CID 66147546

IUPACN-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCCC1C
InChIInChI=1S/C14H25N3/c1-3-8-15-9-13-10-16-11-17(13)14-7-5-4-6-12(14)2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyALJITUBXELHVAP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds5

About N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine

N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66147546) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66147546
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCCC1C
InChIInChI=1S/C14H25N3/c1-3-8-15-9-13-10-16-11-17(13)14-7-5-4-6-12(14)2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyALJITUBXELHVAP-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine (CID 66147546) is N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1C1CCCCC1C.
What is the InChIKey of N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is ALJITUBXELHVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-15-9-13-10-16-11-17(13)14-7-5-4-6-12(14)2/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).