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

C16H30N2O2 — CID 71116057

IUPAC7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCC1(CN)CCCC2(CN(CC(C)(C)C)C(=O)O2)C1
InChIInChI=1S/C16H30N2O2/c1-5-15(10-17)7-6-8-16(9-15)12-18(13(19)20-16)11-14(2,3)4/h5-12,17H2,1-4H3
InChIKeyYHPLVVLDOLEFIU-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.15
Rot. Bonds3

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

7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 71116057) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID71116057
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCC1(CN)CCCC2(CN(CC(C)(C)C)C(=O)O2)C1
InChIInChI=1S/C16H30N2O2/c1-5-15(10-17)7-6-8-16(9-15)12-18(13(19)20-16)11-14(2,3)4/h5-12,17H2,1-4H3
InChIKeyYHPLVVLDOLEFIU-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.15
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)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 71116057) is 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one is CCC1(CN)CCCC2(CN(CC(C)(C)C)C(=O)O2)C1.
What is the InChIKey of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is YHPLVVLDOLEFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-15(10-17)7-6-8-16(9-15)12-18(13(19)20-16)11-14(2,3)4/h5-12,17H2,1-4H3.
What are the key properties of 7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
7-(aminomethyl)-3-(2,2-dimethylpropyl)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 282.43 g/mol, XLogP of 3.15, 3 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)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 71116057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).