2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

C18H27NO — CID 141268838

IUPAC2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
SMILESCc1cccc(CC(O)C2CC3CCC2(C)C3(C)C)n1
InChIInChI=1S/C18H27NO/c1-12-6-5-7-14(19-12)11-16(20)15-10-13-8-9-18(15,4)17(13,2)3/h5-7,13,15-16,20H,8-11H2,1-4H3
InChIKeyTVRJGASSFVYGEM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol (PubChem CID 141268838) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
PubChem CID141268838
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
SMILESCc1cccc(CC(O)C2CC3CCC2(C)C3(C)C)n1
InChIInChI=1S/C18H27NO/c1-12-6-5-7-14(19-12)11-16(20)15-10-13-8-9-18(15,4)17(13,2)3/h5-7,13,15-16,20H,8-11H2,1-4H3
InChIKeyTVRJGASSFVYGEM-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230340011, Example 166.
CID 169312062
US20230340011, Example 161.
CID 169312623
(R)-1-((1S,2S,3R,4aS,8aR)-1-(2-(6-ethylpyridin-2-yl)vinyl)-3-(hydroxymethyl)-decahydronaphthalen-2-yl)ethanol
CID 44416717
(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
CID 56930756
(5S,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
CID 56930757
rel-(5R,8S)-5,6,7,8-Tetrahydro-alpha,alpha,2,5-tetramethyl-8-quinolinemethanol
CID 442529
2-[(5R,8R)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propan-2-ol
CID 1274478
US20230340011, Example 165.
CID 169311965
US20230340011, Example 124.
CID 169312309
US20230340011, Example 167.
CID 169312765
US20230340011, Example 132.
CID 169490211
1-[6-fluoro-2-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]propan-2-ol
CID 57213392

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol (CID 141268838) is 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol is Cc1cccc(CC(O)C2CC3CCC2(C)C3(C)C)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol?
The InChIKey is TVRJGASSFVYGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-6-5-7-14(19-12)11-16(20)15-10-13-8-9-18(15,4)17(13,2)3/h5-7,13,15-16,20H,8-11H2,1-4H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol?
2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol has a molecular weight of 273.42 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 2-(6-methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol is sourced from PubChem (CID 141268838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).