(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

C17H26N2O — CID 118234281

IUPAC(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)CCC1
InChIInChI=1S/C17H26N2O/c1-12-4-3-5-15(10-12)19-13(2)11-17(16(19)20)8-6-14(18)7-9-17/h10,13-14H,1,3-9,11,18H2,2H3/t13-,14?,17?/m0/s1
InChIKeyVSGSIUIWKMEANF-CBCUQQMYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds1

About (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118234281) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118234281
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)CCC1
InChIInChI=1S/C17H26N2O/c1-12-4-3-5-15(10-12)19-13(2)11-17(16(19)20)8-6-14(18)7-9-17/h10,13-14H,1,3-9,11,18H2,2H3/t13-,14?,17?/m0/s1
InChIKeyVSGSIUIWKMEANF-CBCUQQMYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (CID 118234281) is (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is C=C1C=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)CCC1.
What is the InChIKey of (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is VSGSIUIWKMEANF-CBCUQQMYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-4-3-5-15(10-12)19-13(2)11-17(16(19)20)8-6-14(18)7-9-17/h10,13-14H,1,3-9,11,18H2,2H3/t13-,14?,17?/m0/s1.
What are the key properties of (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118234281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).