1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone

C15H28N2O2 — CID 106133822

IUPAC1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
SMILESO=C(CNCC1CCC(O)CC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c18-14-7-5-13(6-8-14)11-16-12-15(19)17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2
InChIKeyFMZQOOXHKZEXPB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds4

About 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone

1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone (PubChem CID 106133822) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
PubChem CID106133822
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
SMILESO=C(CNCC1CCC(O)CC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c18-14-7-5-13(6-8-14)11-16-12-15(19)17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2
InChIKeyFMZQOOXHKZEXPB-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
N-(cyclopropylmethyl)-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685310
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 106136922
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(cyclopropylmethylamino)-1-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 119734607
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone (CID 106133822) is 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone is O=C(CNCC1CCC(O)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone?
The InChIKey is FMZQOOXHKZEXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-14-7-5-13(6-8-14)11-16-12-15(19)17-9-3-1-2-4-10-17/h13-14,16,18H,1-12H2.
What are the key properties of 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone is sourced from PubChem (CID 106133822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).