1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol

C17H27NO — CID 107192689

IUPAC1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2CCCCC2(C)C)nc1
InChIInChI=1S/C17H27NO/c1-4-13-8-9-14(18-12-13)11-16(19)15-7-5-6-10-17(15,2)3/h8-9,12,15-16,19H,4-7,10-11H2,1-3H3
InChIKeyJJUVPGUTVKFYTN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 107192689) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID107192689
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2CCCCC2(C)C)nc1
InChIInChI=1S/C17H27NO/c1-4-13-8-9-14(18-12-13)11-16(19)15-7-5-6-10-17(15,2)3/h8-9,12,15-16,19H,4-7,10-11H2,1-3H3
InChIKeyJJUVPGUTVKFYTN-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
CID 116756434
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115386529
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79740505
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
2-(5-ethyl-2-pyridinyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105014663
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 103277576

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 107192689) is 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)C2CCCCC2(C)C)nc1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is JJUVPGUTVKFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13-8-9-14(18-12-13)11-16(19)15-7-5-6-10-17(15,2)3/h8-9,12,15-16,19H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 107192689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).