4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

C15H20N4O — CID 79967037

IUPAC4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCN1CCC2(CC1)C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-18-9-7-15(8-10-18)13(16)17-14(20)19(15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20)
InChIKeyBVLFUOGREIBLDR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.44
Rot. Bonds2

About 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967037) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID79967037
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCN1CCC2(CC1)C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-18-9-7-15(8-10-18)13(16)17-14(20)19(15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20)
InChIKeyBVLFUOGREIBLDR-UHFFFAOYSA-N
XLogP1.44
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one 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

4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79972969
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967038
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 58949885
4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 106664537
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
CID 82855845
4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510779
4-amino-1-benzyl-5-(2,2-dimethoxyethyl)-5-methylimidazol-2-one
CID 79972959
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79967212

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 79967037) is 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is CN1CCC2(CC1)C(N)=NC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BVLFUOGREIBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-9-7-15(8-10-18)13(16)17-14(20)19(15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20).
What are the key properties of 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).