2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 79744639

IUPAC2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2nccn2C)C1
InChIInChI=1S/C13H23N3/c1-10-4-5-11(2)13(14,8-10)9-12-15-6-7-16(12)3/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyWEMGQSMBYXNAHT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.12
Rot. Bonds2

About 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79744639) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79744639
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2nccn2C)C1
InChIInChI=1S/C13H23N3/c1-10-4-5-11(2)13(14,8-10)9-12-15-6-7-16(12)3/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyWEMGQSMBYXNAHT-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79743892
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
CID 79744991
1-[(5-ethyl-2-pyridinyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79745148
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 79744639) is 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is CC1CCC(C)C(N)(Cc2nccn2C)C1.
What is the InChIKey of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WEMGQSMBYXNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-5-11(2)13(14,8-10)9-12-15-6-7-16(12)3/h6-7,10-11H,4-5,8-9,14H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79744639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).