1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

C17H27NO — CID 81314333

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)(C)CC2C)nc1
InChIInChI=1S/C17H27NO/c1-5-14-6-7-15(18-12-14)11-17(19)9-8-16(3,4)10-13(17)2/h6-7,12-13,19H,5,8-11H2,1-4H3
InChIKeyILUAFVAKNXWKDP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314333) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314333
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)(C)CC2C)nc1
InChIInChI=1S/C17H27NO/c1-5-14-6-7-15(18-12-14)11-17(19)9-8-16(3,4)10-13(17)2/h6-7,12-13,19H,5,8-11H2,1-4H3
InChIKeyILUAFVAKNXWKDP-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (CID 81314333) is 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is CCc1ccc(CC2(O)CCC(C)(C)CC2C)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is ILUAFVAKNXWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-14-6-7-15(18-12-14)11-17(19)9-8-16(3,4)10-13(17)2/h6-7,12-13,19H,5,8-11H2,1-4H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).