1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

C18H29NO — CID 115999401

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CC(C)(C)CC(C)(C)C2)nc1
InChIInChI=1S/C18H29NO/c1-6-14-7-8-15(19-10-14)9-18(20)12-16(2,3)11-17(4,5)13-18/h7-8,10,20H,6,9,11-13H2,1-5H3
InChIKeyZSWIBJWFUPMSIO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 115999401) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID115999401
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CC(C)(C)CC(C)(C)C2)nc1
InChIInChI=1S/C18H29NO/c1-6-14-7-8-15(19-10-14)9-18(20)12-16(2,3)11-17(4,5)13-18/h7-8,10,20H,6,9,11-13H2,1-5H3
InChIKeyZSWIBJWFUPMSIO-UHFFFAOYSA-N
XLogP4.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.15
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]-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (CID 115999401) is 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is CCc1ccc(CC2(O)CC(C)(C)CC(C)(C)C2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is ZSWIBJWFUPMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-14-7-8-15(19-10-14)9-18(20)12-16(2,3)11-17(4,5)13-18/h7-8,10,20H,6,9,11-13H2,1-5H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.15, 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]-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 115999401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).