5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol

C14H22N2O — CID 65174779

IUPAC5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol
SMILESCCCn1ccnc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-4-6-16-7-5-15-13(16)11-8-12(17)10-14(2,3)9-11/h5,7-8,12,17H,4,6,9-10H2,1-3H3
InChIKeyKBGFKDGXPYAMBE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.86
Rot. Bonds3

About 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol (PubChem CID 65174779) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol
PubChem CID65174779
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol
SMILESCCCn1ccnc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-4-6-16-7-5-15-13(16)11-8-12(17)10-14(2,3)9-11/h5,7-8,12,17H,4,6,9-10H2,1-3H3
InChIKeyKBGFKDGXPYAMBE-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol (CID 65174779) is 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol is CCCn1ccnc1C1=CC(O)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol?
The InChIKey is KBGFKDGXPYAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-16-7-5-15-13(16)11-8-12(17)10-14(2,3)9-11/h5,7-8,12,17H,4,6,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65174779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).