1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone

C14H28N2O — CID 86910796

IUPAC1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-5-10-15(4-2)13-14(17)16-11-8-6-7-9-12-16/h3-13H2,1-2H3
InChIKeyYZHZSKNPVDDPDT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.51
Rot. Bonds6

About 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone

1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone (PubChem CID 86910796) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
PubChem CID86910796
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-5-10-15(4-2)13-14(17)16-11-8-6-7-9-12-16/h3-13H2,1-2H3
InChIKeyYZHZSKNPVDDPDT-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
3-[2-(dibutylamino)ethylsulfanyl]-1-piperidin-1-ylpropan-1-one
CID 165003526
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone (CID 86910796) is 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone is CCCCN(CC)CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone?
The InChIKey is YZHZSKNPVDDPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-10-15(4-2)13-14(17)16-11-8-6-7-9-12-16/h3-13H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone?
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone has a molecular weight of 240.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone is sourced from PubChem (CID 86910796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).