3-(2-amino-2-methylbutoxy)azepan-2-one

C11H22N2O2 — CID 106938324

IUPAC3-(2-amino-2-methylbutoxy)azepan-2-one
SMILESCCC(C)(N)COC1CCCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-11(2,12)8-15-9-6-4-5-7-13-10(9)14/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYCSSPPNZBMRLHH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds4

About 3-(2-amino-2-methylbutoxy)azepan-2-one

3-(2-amino-2-methylbutoxy)azepan-2-one (PubChem CID 106938324) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-amino-2-methylbutoxy)azepan-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylbutoxy)azepan-2-one
PubChem CID106938324
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2-amino-2-methylbutoxy)azepan-2-one
SMILESCCC(C)(N)COC1CCCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-11(2,12)8-15-9-6-4-5-7-13-10(9)14/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYCSSPPNZBMRLHH-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropoxy)azepan-2-one
CID 164664183
3-[3-(aminomethyl)pentan-3-yloxy]azepan-2-one
CID 65050639
3-[(4-aminophenyl)methoxy]azepan-2-one
CID 43197107
(2-oxoazepan-3-yl) carbamate
CID 175088958
3-(pyrrolidin-2-ylmethoxy)azepan-2-one
CID 106937806
3-(2-piperidin-2-ylethoxy)azepan-2-one
CID 106937963
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]azepan-2-one
CID 107865414
3-(2-aminocyclopentyl)oxyazepan-2-one
CID 106938939
3-(2-aminocyclohexyl)oxyazepan-2-one
CID 106938972
ethane;3-methylazepan-2-one;propane
CID 142177771
3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
CID 43416486
(2-oxoazepan-3-yl) nitrate
CID 134716136

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylbutoxy)azepan-2-one?
The IUPAC name of 3-(2-amino-2-methylbutoxy)azepan-2-one (CID 106938324) is 3-(2-amino-2-methylbutoxy)azepan-2-one.
What is the SMILES notation for 3-(2-amino-2-methylbutoxy)azepan-2-one?
The canonical SMILES for 3-(2-amino-2-methylbutoxy)azepan-2-one is CCC(C)(N)COC1CCCCNC1=O.
What is the InChIKey of 3-(2-amino-2-methylbutoxy)azepan-2-one?
The InChIKey is YCSSPPNZBMRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(2,12)8-15-9-6-4-5-7-13-10(9)14/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-amino-2-methylbutoxy)azepan-2-one?
3-(2-amino-2-methylbutoxy)azepan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylbutoxy)azepan-2-one is sourced from PubChem (CID 106938324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).