3-(oxepan-4-ylamino)azepan-2-one

C12H22N2O2 — CID 65081835

IUPAC3-(oxepan-4-ylamino)azepan-2-one
SMILESO=C1NCCCCC1NC1CCCOCC1
InChIInChI=1S/C12H22N2O2/c15-12-11(5-1-2-7-13-12)14-10-4-3-8-16-9-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyXBUNSSHKTLCDPY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds2

About 3-(oxepan-4-ylamino)azepan-2-one

3-(oxepan-4-ylamino)azepan-2-one (PubChem CID 65081835) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(oxepan-4-ylamino)azepan-2-one.

Molecular Properties

Compound Name3-(oxepan-4-ylamino)azepan-2-one
PubChem CID65081835
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(oxepan-4-ylamino)azepan-2-one
SMILESO=C1NCCCCC1NC1CCCOCC1
InChIInChI=1S/C12H22N2O2/c15-12-11(5-1-2-7-13-12)14-10-4-3-8-16-9-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyXBUNSSHKTLCDPY-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
N-cyclooctyloxepan-4-amine
CID 65076823
3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 62093934
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
3-[(3-methoxycyclohexyl)amino]azepan-2-one
CID 113285842
3-[(1-propylazepan-4-yl)amino]azepan-2-one
CID 65074113
3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidin-2-one
CID 79895755
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837

Frequently Asked Questions

What is the IUPAC name of 3-(oxepan-4-ylamino)azepan-2-one?
The IUPAC name of 3-(oxepan-4-ylamino)azepan-2-one (CID 65081835) is 3-(oxepan-4-ylamino)azepan-2-one.
What is the SMILES notation for 3-(oxepan-4-ylamino)azepan-2-one?
The canonical SMILES for 3-(oxepan-4-ylamino)azepan-2-one is O=C1NCCCCC1NC1CCCOCC1.
What is the InChIKey of 3-(oxepan-4-ylamino)azepan-2-one?
The InChIKey is XBUNSSHKTLCDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12-11(5-1-2-7-13-12)14-10-4-3-8-16-9-6-10/h10-11,14H,1-9H2,(H,13,15).
What are the key properties of 3-(oxepan-4-ylamino)azepan-2-one?
3-(oxepan-4-ylamino)azepan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxepan-4-ylamino)azepan-2-one is sourced from PubChem (CID 65081835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).