3-(2-aminocyclohexyl)oxyazepan-2-one

C12H22N2O2 — CID 106938972

IUPAC3-(2-aminocyclohexyl)oxyazepan-2-one
SMILESNC1CCCCC1OC1CCCCNC1=O
InChIInChI=1S/C12H22N2O2/c13-9-5-1-2-6-10(9)16-11-7-3-4-8-14-12(11)15/h9-11H,1-8,13H2,(H,14,15)
InChIKeyRASZKOSSBCNJFZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.94
Rot. Bonds2

About 3-(2-aminocyclohexyl)oxyazepan-2-one

3-(2-aminocyclohexyl)oxyazepan-2-one (PubChem CID 106938972) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-aminocyclohexyl)oxyazepan-2-one.

Molecular Properties

Compound Name3-(2-aminocyclohexyl)oxyazepan-2-one
PubChem CID106938972
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2-aminocyclohexyl)oxyazepan-2-one
SMILESNC1CCCCC1OC1CCCCNC1=O
InChIInChI=1S/C12H22N2O2/c13-9-5-1-2-6-10(9)16-11-7-3-4-8-14-12(11)15/h9-11H,1-8,13H2,(H,14,15)
InChIKeyRASZKOSSBCNJFZ-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminocyclopentyl)oxyazepan-2-one
CID 106938939
(2-oxoazepan-3-yl) carbamate
CID 175088958
3-cyclopentyloxypyrrolidin-2-one
CID 164903698
3-(azetidin-3-yloxy)piperidin-2-one
CID 165492804
3-aminoazepan-2-one;nickel
CID 88838711
3-[3-(aminomethyl)pentan-3-yloxy]azepan-2-one
CID 65050639
3-(2-aminopropoxy)azepan-2-one
CID 164664183
(2-oxoazepan-3-yl) nitrate
CID 134716136
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
3-(2-amino-2-methylbutoxy)azepan-2-one
CID 106938324
3-[(4-aminophenyl)methoxy]azepan-2-one
CID 43197107
3-(pyrrolidin-2-ylmethoxy)azepan-2-one
CID 106937806

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclohexyl)oxyazepan-2-one?
The IUPAC name of 3-(2-aminocyclohexyl)oxyazepan-2-one (CID 106938972) is 3-(2-aminocyclohexyl)oxyazepan-2-one.
What is the SMILES notation for 3-(2-aminocyclohexyl)oxyazepan-2-one?
The canonical SMILES for 3-(2-aminocyclohexyl)oxyazepan-2-one is NC1CCCCC1OC1CCCCNC1=O.
What is the InChIKey of 3-(2-aminocyclohexyl)oxyazepan-2-one?
The InChIKey is RASZKOSSBCNJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-5-1-2-6-10(9)16-11-7-3-4-8-14-12(11)15/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 3-(2-aminocyclohexyl)oxyazepan-2-one?
3-(2-aminocyclohexyl)oxyazepan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclohexyl)oxyazepan-2-one is sourced from PubChem (CID 106938972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).