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

C17H28N2O — CID 104691301

IUPAC[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
SMILESCCC1CCCCCN1c1cc(CO)cc(C(C)C)n1
InChIInChI=1S/C17H28N2O/c1-4-15-8-6-5-7-9-19(15)17-11-14(12-20)10-16(18-17)13(2)3/h10-11,13,15,20H,4-9,12H2,1-3H3
InChIKeyFPXNWOLMCPBCKP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.86
Rot. Bonds4

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

[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol (PubChem CID 104691301) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
PubChem CID104691301
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
SMILESCCC1CCCCCN1c1cc(CO)cc(C(C)C)n1
InChIInChI=1S/C17H28N2O/c1-4-15-8-6-5-7-9-19(15)17-11-14(12-20)10-16(18-17)13(2)3/h10-11,13,15,20H,4-9,12H2,1-3H3
InChIKeyFPXNWOLMCPBCKP-UHFFFAOYSA-N
XLogP3.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol with MolForge

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Related Compounds

[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
1-[6-tert-butyl-4-(chloromethyl)-2-pyridinyl]-2-ethylazepane
CID 104691311
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968032
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
CID 104691289

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol?
The IUPAC name of [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol (CID 104691301) is [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol?
The canonical SMILES for [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol is CCC1CCCCCN1c1cc(CO)cc(C(C)C)n1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol?
The InChIKey is FPXNWOLMCPBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-8-6-5-7-9-19(15)17-11-14(12-20)10-16(18-17)13(2)3/h10-11,13,15,20H,4-9,12H2,1-3H3.
What are the key properties of [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol?
[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol is sourced from PubChem (CID 104691301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).