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

C13H22N2O — CID 79743681

IUPAC2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(Cc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-4-5-11(2)13(16,8-10)9-12-14-6-7-15(12)3/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyJRNYJAKSGQIRQN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds2

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

2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol (PubChem CID 79743681) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
PubChem CID79743681
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(Cc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-4-5-11(2)13(16,8-10)9-12-14-6-7-15(12)3/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyJRNYJAKSGQIRQN-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79743892
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol
CID 79928334

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol (CID 79743681) is 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol is CC1CCC(C)C(O)(Cc2nccn2C)C1.
What is the InChIKey of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is JRNYJAKSGQIRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-5-11(2)13(16,8-10)9-12-14-6-7-15(12)3/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol?
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.15, 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-ol is sourced from PubChem (CID 79743681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).