[1-(2-cyclohexylethyl)azepan-2-yl]methanol

C15H29NO — CID 114192428

IUPAC[1-(2-cyclohexylethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCC1CCCCC1
InChIInChI=1S/C15H29NO/c17-13-15-9-5-2-6-11-16(15)12-10-14-7-3-1-4-8-14/h14-15,17H,1-13H2
InChIKeyLYZWJANJMQOHPR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds4

About [1-(2-cyclohexylethyl)azepan-2-yl]methanol

[1-(2-cyclohexylethyl)azepan-2-yl]methanol (PubChem CID 114192428) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-(2-cyclohexylethyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-cyclohexylethyl)azepan-2-yl]methanol
PubChem CID114192428
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-(2-cyclohexylethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCC1CCCCC1
InChIInChI=1S/C15H29NO/c17-13-15-9-5-2-6-11-16(15)12-10-14-7-3-1-4-8-14/h14-15,17H,1-13H2
InChIKeyLYZWJANJMQOHPR-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
(1-ethylazepan-2-yl)methanol
CID 2849413
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
[1-(2-cycloheptyloxyethyl)piperidin-2-yl]methanol
CID 111448204
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-cyclohexylethyl)azepan-2-yl]methanol (CID 114192428) is [1-(2-cyclohexylethyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-cyclohexylethyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-cyclohexylethyl)azepan-2-yl]methanol is OCC1CCCCCN1CCC1CCCCC1.
What is the InChIKey of [1-(2-cyclohexylethyl)azepan-2-yl]methanol?
The InChIKey is LYZWJANJMQOHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c17-13-15-9-5-2-6-11-16(15)12-10-14-7-3-1-4-8-14/h14-15,17H,1-13H2.
What are the key properties of [1-(2-cyclohexylethyl)azepan-2-yl]methanol?
[1-(2-cyclohexylethyl)azepan-2-yl]methanol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethyl)azepan-2-yl]methanol is sourced from PubChem (CID 114192428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).