(1-ethylazepan-2-yl)methanol

C9H19NO — CID 2849413

IUPAC(1-ethylazepan-2-yl)methanol
SMILESCCN1CCCCCC1CO
InChIInChI=1S/C9H19NO/c1-2-10-7-5-3-4-6-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyIAXTYTXEXUHZJE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

About (1-ethylazepan-2-yl)methanol

(1-ethylazepan-2-yl)methanol (PubChem CID 2849413) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1-ethylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-ethylazepan-2-yl)methanol
PubChem CID2849413
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1-ethylazepan-2-yl)methanol
SMILESCCN1CCCCCC1CO
InChIInChI=1S/C9H19NO/c1-2-10-7-5-3-4-6-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyIAXTYTXEXUHZJE-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1,2-diethylpiperidine
CID 19604037
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
(1-prop-2-ynylazepan-2-yl)methanol
CID 116637134
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
1-(2-ethylpiperidin-1-yl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116637297
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573

Frequently Asked Questions

What is the IUPAC name of (1-ethylazepan-2-yl)methanol?
The IUPAC name of (1-ethylazepan-2-yl)methanol (CID 2849413) is (1-ethylazepan-2-yl)methanol.
What is the SMILES notation for (1-ethylazepan-2-yl)methanol?
The canonical SMILES for (1-ethylazepan-2-yl)methanol is CCN1CCCCCC1CO.
What is the InChIKey of (1-ethylazepan-2-yl)methanol?
The InChIKey is IAXTYTXEXUHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-10-7-5-3-4-6-9(10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of (1-ethylazepan-2-yl)methanol?
(1-ethylazepan-2-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylazepan-2-yl)methanol is sourced from PubChem (CID 2849413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).