1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 115630443

IUPAC1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)(NCc2nccn2C)CC1
InChIInChI=1S/C13H23N3/c1-11-4-6-13(2,7-5-11)15-10-12-14-8-9-16(12)3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyWWLWNXMLUIDWFM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds3

About 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 115630443) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID115630443
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)(NCc2nccn2C)CC1
InChIInChI=1S/C13H23N3/c1-11-4-6-13(2,7-5-11)15-10-12-14-8-9-16(12)3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyWWLWNXMLUIDWFM-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]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

[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
CID 115763066
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
CID 43142865
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352515
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
CID 61364614
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 115630443) is 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is CC1CCC(C)(NCc2nccn2C)CC1.
What is the InChIKey of 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WWLWNXMLUIDWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-4-6-13(2,7-5-11)15-10-12-14-8-9-16(12)3/h8-9,11,15H,4-7,10H2,1-3H3.
What are the key properties of 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115630443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).