[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol

C15H24N2O — CID 104691289

IUPAC[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
SMILESCCC1CCCCCN1c1cc(C)ncc1CO
InChIInChI=1S/C15H24N2O/c1-3-14-7-5-4-6-8-17(14)15-9-12(2)16-10-13(15)11-18/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyAKNVZTOAUWCZAB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds3

About [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol

[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol (PubChem CID 104691289) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
PubChem CID104691289
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
SMILESCCC1CCCCCN1c1cc(C)ncc1CO
InChIInChI=1S/C15H24N2O/c1-3-14-7-5-4-6-8-17(14)15-9-12(2)16-10-13(15)11-18/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyAKNVZTOAUWCZAB-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81248858
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
N-[[4-(2-ethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81249915
[4-(2-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81239529
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
CID 102713614
1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
CID 81238544
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
CID 116637094
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol (CID 104691289) is [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol is CCC1CCCCCN1c1cc(C)ncc1CO.
What is the InChIKey of [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol?
The InChIKey is AKNVZTOAUWCZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14-7-5-4-6-8-17(14)15-9-12(2)16-10-13(15)11-18/h9-10,14,18H,3-8,11H2,1-2H3.
What are the key properties of [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol?
[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 104691289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).