7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one

C16H22N2O — CID 70653883

IUPAC7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1cccc(N2CCC3(CCCC(N)C3)C2=O)c1
InChIInChI=1S/C16H22N2O/c1-12-4-2-6-14(10-12)18-9-8-16(15(18)19)7-3-5-13(17)11-16/h2,4,6,10,13H,3,5,7-9,11,17H2,1H3
InChIKeyWHZLWVFZFWADGP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.62
Rot. Bonds1

About 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one

7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 70653883) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID70653883
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1cccc(N2CCC3(CCCC(N)C3)C2=O)c1
InChIInChI=1S/C16H22N2O/c1-12-4-2-6-14(10-12)18-9-8-16(15(18)19)7-3-5-13(17)11-16/h2,4,6,10,13H,3,5,7-9,11,17H2,1H3
InChIKeyWHZLWVFZFWADGP-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one (CID 70653883) is 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one is Cc1cccc(N2CCC3(CCCC(N)C3)C2=O)c1.
What is the InChIKey of 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is WHZLWVFZFWADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-2-6-14(10-12)18-9-8-16(15(18)19)7-3-5-13(17)11-16/h2,4,6,10,13H,3,5,7-9,11,17H2,1H3.
What are the key properties of 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one?
7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 70653883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).