6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C12H13N3O2 — CID 80578964

IUPAC6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESNCc1cccc(N2C(=O)NC3(CC3)C2=O)c1
InChIInChI=1S/C12H13N3O2/c13-7-8-2-1-3-9(6-8)15-10(16)12(4-5-12)14-11(15)17/h1-3,6H,4-5,7,13H2,(H,14,17)
InChIKeyAFZLKLONYDCPQB-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.73
Rot. Bonds2

About 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 80578964) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID80578964
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESNCc1cccc(N2C(=O)NC3(CC3)C2=O)c1
InChIInChI=1S/C12H13N3O2/c13-7-8-2-1-3-9(6-8)15-10(16)12(4-5-12)14-11(15)17/h1-3,6H,4-5,7,13H2,(H,14,17)
InChIKeyAFZLKLONYDCPQB-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

7-[4-(aminomethyl)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81167433
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81166900
1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one
CID 117030564
3-[3-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]phenyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 167892371
3-[3-(aminomethyl)phenyl]-1-ethylimidazolidine-2,4-dione
CID 80578981
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589
N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 154851475
2-[3-(aminomethyl)phenyl]-3-methylideneisoindol-1-one
CID 63254739
3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione
CID 80578813
(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 124585523
2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
(3-piperazin-1-ylphenyl)methanamine
CID 83775094

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 80578964) is 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is NCc1cccc(N2C(=O)NC3(CC3)C2=O)c1.
What is the InChIKey of 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is AFZLKLONYDCPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-8-2-1-3-9(6-8)15-10(16)12(4-5-12)14-11(15)17/h1-3,6H,4-5,7,13H2,(H,14,17).
What are the key properties of 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 231.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 80578964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).