2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione

C17H22N2O2 — CID 43589447

IUPAC2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESNCc1cccc(CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c18-11-13-5-4-6-14(9-13)12-19-15(20)10-17(16(19)21)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-12,18H2
InChIKeySVAAIDMITGRZMO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds3

About 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione

2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43589447) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43589447
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESNCc1cccc(CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c18-11-13-5-4-6-14(9-13)12-19-15(20)10-17(16(19)21)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-12,18H2
InChIKeySVAAIDMITGRZMO-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione (CID 43589447) is 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione is NCc1cccc(CN2C(=O)CC3(CCCCC3)C2=O)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is SVAAIDMITGRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-11-13-5-4-6-14(9-13)12-19-15(20)10-17(16(19)21)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-12,18H2.
What are the key properties of 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43589447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).