1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol

C16H28N2O — CID 79752511

IUPAC1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H28N2O/c1-4-10-18-11-9-17-15(18)12-14(19)13-5-7-16(2,3)8-6-13/h9,11,13-14,19H,4-8,10,12H2,1-3H3
InChIKeyDJQBAFVAFPXXCJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.41
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol

1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 79752511) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID79752511
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H28N2O/c1-4-10-18-11-9-17-15(18)12-14(19)13-5-7-16(2,3)8-6-13/h9,11,13-14,19H,4-8,10,12H2,1-3H3
InChIKeyDJQBAFVAFPXXCJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821151
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol (CID 79752511) is 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is DJQBAFVAFPXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-10-18-11-9-17-15(18)12-14(19)13-5-7-16(2,3)8-6-13/h9,11,13-14,19H,4-8,10,12H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 264.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).