2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

C16H28N2O — CID 79762058

IUPAC2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCCn1ccnc1CC(C)(C)C1CCC(C)CC1O
InChIInChI=1S/C16H28N2O/c1-5-18-9-8-17-15(18)11-16(3,4)13-7-6-12(2)10-14(13)19/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyBVAMCYBSAIZEBV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 79762058) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID79762058
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCCn1ccnc1CC(C)(C)C1CCC(C)CC1O
InChIInChI=1S/C16H28N2O/c1-5-18-9-8-17-15(18)11-16(3,4)13-7-6-12(2)10-14(13)19/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyBVAMCYBSAIZEBV-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-1-ethylimidazole
CID 79760431
5-methyl-2-[2-(1-propylimidazol-2-yl)propan-2-yl]cyclohexan-1-ol
CID 64766250
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1-methylimidazole
CID 79760953
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
[(1-ethylimidazol-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233058
2-(4-bromo-2,2-dimethylpentyl)-1-ethylimidazole
CID 79762188
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
2-(1-ethoxy-2-methylpropan-2-yl)-5-methylcyclohexan-1-ol
CID 79570834

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (CID 79762058) is 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is CCn1ccnc1CC(C)(C)C1CCC(C)CC1O.
What is the InChIKey of 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is BVAMCYBSAIZEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18-9-8-17-15(18)11-16(3,4)13-7-6-12(2)10-14(13)19/h8-9,12-14,19H,5-7,10-11H2,1-4H3.
What are the key properties of 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 79762058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).