1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone

C14H26N2O — CID 43371059

IUPAC1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
SMILESO=C(CNCC1CCCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-9-5-1-2-6-10-16)12-15-11-13-7-3-4-8-13/h13,15H,1-12H2
InChIKeyOIUXRWNPRYRLCO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone

1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone (PubChem CID 43371059) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
PubChem CID43371059
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
SMILESO=C(CNCC1CCCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-9-5-1-2-6-10-16)12-15-11-13-7-3-4-8-13/h13,15H,1-12H2
InChIKeyOIUXRWNPRYRLCO-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
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
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone
CID 107132382
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone (CID 43371059) is 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone is O=C(CNCC1CCCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone?
The InChIKey is OIUXRWNPRYRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-14(16-9-5-1-2-6-10-16)12-15-11-13-7-3-4-8-13/h13,15H,1-12H2.
What are the key properties of 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone?
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone is sourced from PubChem (CID 43371059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).