1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine

C12H21N3 — CID 106574668

IUPAC1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCC(C)(C)CC2)c(N)n1
InChIInChI=1S/C12H21N3/c1-9-8-15(11(13)14-9)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyHSIAATVBNLNFMB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine

1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine (PubChem CID 106574668) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
PubChem CID106574668
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCC(C)(C)CC2)c(N)n1
InChIInChI=1S/C12H21N3/c1-9-8-15(11(13)14-9)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyHSIAATVBNLNFMB-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-4-methylimidazol-2-amine
CID 103840674
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
CID 106569535
1-cyclopropyl-4-methyl-N-(1-methylcyclopentyl)imidazol-2-amine
CID 106574506
1-cyclohexyl-N-(2,2-dimethylcyclopentyl)-4-methylimidazol-2-amine
CID 106576698
1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole
CID 175283011
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943263
1-(2-cyclopropylethyl)-4-methylimidazol-2-amine
CID 106575832
3-(3,3-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 114548374
1-cyclobutyl-N-cyclopropyl-4-methylimidazol-2-amine
CID 106571443
1-(3,3-dimethylcyclopentyl)tetrazol-5-amine
CID 114541610
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424
6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79302440

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine (CID 106574668) is 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine is Cc1cn(C2CCC(C)(C)CC2)c(N)n1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The InChIKey is HSIAATVBNLNFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-8-15(11(13)14-9)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).