3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol

C14H24N2O — CID 64745868

IUPAC3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol
SMILESCCCn1ccnc1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C14H24N2O/c1-4-8-16-9-7-15-13(16)14(17)6-5-11(2)12(3)10-14/h7,9,11-12,17H,4-6,8,10H2,1-3H3
InChIKeyKGIJNLCMTPPPNT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.94
Rot. Bonds3

About 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol

3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol (PubChem CID 64745868) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol
PubChem CID64745868
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol
SMILESCCCn1ccnc1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C14H24N2O/c1-4-8-16-9-7-15-13(16)14(17)6-5-11(2)12(3)10-14/h7,9,11-12,17H,4-6,8,10H2,1-3H3
InChIKeyKGIJNLCMTPPPNT-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(1-propylimidazol-2-yl)pyrrolidin-3-ol
CID 63975841
4-(1-propylimidazol-2-yl)oxan-4-ol
CID 63975845
1-ethyl-4-(1-propylimidazol-2-yl)piperidin-4-ol
CID 63975629
1-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 63975652
3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63975851
1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554985
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
CID 80562885
4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol
CID 65077460
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
4-(1-ethylimidazol-2-yl)piperidin-4-ol
CID 63975654
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol (CID 64745868) is 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol is CCCn1ccnc1C1(O)CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol?
The InChIKey is KGIJNLCMTPPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-8-16-9-7-15-13(16)14(17)6-5-11(2)12(3)10-14/h7,9,11-12,17H,4-6,8,10H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol?
3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 64745868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).