7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one

C14H26N2O2 — CID 71116056

IUPAC7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1CC2(CCCC(CN)C2)OC1=O
InChIInChI=1S/C14H26N2O2/c1-13(2,3)9-16-10-14(18-12(16)17)6-4-5-11(7-14)8-15/h11H,4-10,15H2,1-3H3
InChIKeyQGJBFASXPXXYKI-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds2

About 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one

7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 71116056) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID71116056
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1CC2(CCCC(CN)C2)OC1=O
InChIInChI=1S/C14H26N2O2/c1-13(2,3)9-16-10-14(18-12(16)17)6-4-5-11(7-14)8-15/h11H,4-10,15H2,1-3H3
InChIKeyQGJBFASXPXXYKI-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 71116056) is 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C)(C)CN1CC2(CCCC(CN)C2)OC1=O.
What is the InChIKey of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is QGJBFASXPXXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)9-16-10-14(18-12(16)17)6-4-5-11(7-14)8-15/h11H,4-10,15H2,1-3H3.
What are the key properties of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3-(2,2-dimethylpropyl)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 71116056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).