2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione

C17H22N2O2 — CID 62103760

IUPAC2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(CN)cc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12-5-6-13(11-18)9-14(12)19-15(20)10-17(16(19)21)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3
InChIKeyBAECGVPRJOJUNP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds2

About 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione

2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 62103760) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID62103760
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(CN)cc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12-5-6-13(11-18)9-14(12)19-15(20)10-17(16(19)21)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3
InChIKeyBAECGVPRJOJUNP-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione 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 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione (CID 62103760) is 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione is Cc1ccc(CN)cc1N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is BAECGVPRJOJUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-6-13(11-18)9-14(12)19-15(20)10-17(16(19)21)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 62103760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).