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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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).