1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine

C13H23N3 — CID 66149552

IUPAC1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1C1CCC(C)C(C)C1
InChIInChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)16-9-15-8-13(16)7-14-3/h8-12,14H,4-7H2,1-3H3
InChIKeyBTPUFZRAMUGLSY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds3

About 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine

1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 66149552) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID66149552
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1C1CCC(C)C(C)C1
InChIInChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)16-9-15-8-13(16)7-14-3/h8-12,14H,4-7H2,1-3H3
InChIKeyBTPUFZRAMUGLSY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine 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-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421
N-methyl-1-[3-(2-methylcyclohexyl)imidazol-4-yl]methanamine
CID 66147759
1-[3-(1-cyclopropylpyrrolidin-3-yl)imidazol-4-yl]-N-methylmethanamine
CID 66151768
1-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]-N-methylmethanamine
CID 114541577
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718324
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106938573
2-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 114722524

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine (CID 66149552) is 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cncn1C1CCC(C)C(C)C1.
What is the InChIKey of 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is BTPUFZRAMUGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-5-12(6-11(10)2)16-9-15-8-13(16)7-14-3/h8-12,14H,4-7H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66149552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).