N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride

C13H24ClN3 — CID 91663022

IUPACN-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
SMILESCC(CNC1CCCCC1)Cn1ccnc1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-12(10-16-8-7-14-11-16)9-15-13-5-3-2-4-6-13;/h7-8,11-13,15H,2-6,9-10H2,1H3;1H
InChIKeyBUGBHOFAALYMHR-UHFFFAOYSA-N
MW257.81 g/mol
LogP2.86
Rot. Bonds5

About N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride

N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride (PubChem CID 91663022) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
PubChem CID91663022
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
SMILESCC(CNC1CCCCC1)Cn1ccnc1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-12(10-16-8-7-14-11-16)9-15-13-5-3-2-4-6-13;/h7-8,11-13,15H,2-6,9-10H2,1H3;1H
InChIKeyBUGBHOFAALYMHR-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride 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-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
CID 115652890
cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124830068
1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol
CID 86794460
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
1-(2-chloro-2-cyclohexylethyl)imidazole
CID 19870508
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859033
1-(2-methylbutyl)imidazole
CID 59161437
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride (CID 91663022) is N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride is CC(CNC1CCCCC1)Cn1ccnc1.Cl.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride?
The InChIKey is BUGBHOFAALYMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.ClH/c1-12(10-16-8-7-14-11-16)9-15-13-5-3-2-4-6-13;/h7-8,11-13,15H,2-6,9-10H2,1H3;1H.
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride?
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 91663022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).