3-(2-ethylbutylamino)azepan-2-one

C12H24N2O — CID 43688006

IUPAC3-(2-ethylbutylamino)azepan-2-one
SMILESCCC(CC)CNC1CCCCNC1=O
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)9-14-11-7-5-6-8-13-12(11)15/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFZGGKCBZDPEOJT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-ethylbutylamino)azepan-2-one

3-(2-ethylbutylamino)azepan-2-one (PubChem CID 43688006) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(2-ethylbutylamino)azepan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutylamino)azepan-2-one
PubChem CID43688006
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(2-ethylbutylamino)azepan-2-one
SMILESCCC(CC)CNC1CCCCNC1=O
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)9-14-11-7-5-6-8-13-12(11)15/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFZGGKCBZDPEOJT-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)amino]azepan-2-one
CID 102905290
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880
3-(cyclobutylmethylamino)azepan-2-one
CID 43275345
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
3-[(2-methylcyclohexyl)methylamino]azepan-2-one
CID 55013270
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
3-(pentylamino)piperidin-2-one
CID 62093756
3-[2-(1-methylpiperidin-4-yl)ethylamino]azepan-2-one
CID 114515595
3-(dodecylamino)piperidin-2-one
CID 63492267
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]azepan-2-one
CID 107865414
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutylamino)azepan-2-one?
The IUPAC name of 3-(2-ethylbutylamino)azepan-2-one (CID 43688006) is 3-(2-ethylbutylamino)azepan-2-one.
What is the SMILES notation for 3-(2-ethylbutylamino)azepan-2-one?
The canonical SMILES for 3-(2-ethylbutylamino)azepan-2-one is CCC(CC)CNC1CCCCNC1=O.
What is the InChIKey of 3-(2-ethylbutylamino)azepan-2-one?
The InChIKey is FZGGKCBZDPEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(4-2)9-14-11-7-5-6-8-13-12(11)15/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-ethylbutylamino)azepan-2-one?
3-(2-ethylbutylamino)azepan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutylamino)azepan-2-one is sourced from PubChem (CID 43688006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).