cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine

C14H25N3 — CID 165456995

IUPACcis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyMXUAMJNRXGCOHH-KGLIPLIRSA-N
MW235.38 g/mol
LogP3.00
Rot. Bonds5

About cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine

cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine (PubChem CID 165456995) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
PubChem CID165456995
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Namecis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyMXUAMJNRXGCOHH-KGLIPLIRSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-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-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
CID 43734275
N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 55231874
2-imidazol-1-yl-N-pentan-2-ylcyclopentan-1-amine
CID 43734394
2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
CID 116501076
2-ethyl-2-[[(2-imidazol-1-ylcyclopentyl)amino]methyl]butan-1-ol
CID 81413072
N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine
CID 102868865
2-imidazol-1-yl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 43734408
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 66398331
N-(2-imidazol-1-ylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 60851167

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine (CID 165456995) is cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine is CC(C)CCN[C@@H]1CCCC[C@@H]1n1ccnc1.
What is the InChIKey of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
The InChIKey is MXUAMJNRXGCOHH-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)7-8-16-13-5-3-4-6-14(13)17-10-9-15-11-17/h9-14,16H,3-8H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine?
cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-imidazol-1-yl-N-(3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 165456995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).