4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

C16H22N4O — CID 114510779

IUPAC4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CNCCC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-2-13-10-18-9-8-16(13)14(17)19-15(21)20(16)11-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H2,17,19,21)
InChIKeyBYXIIYMMURESAE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 114510779) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID114510779
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CNCCC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-2-13-10-18-9-8-16(13)14(17)19-15(21)20(16)11-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H2,17,19,21)
InChIKeyBYXIIYMMURESAE-UHFFFAOYSA-N
XLogP1.74
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-benzyl-6-ethyl-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-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
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-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967037
4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79972969
4-benzyl-3,4-diethylpiperidine
CID 79312303
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967038

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 114510779) is 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is CCC1CNCCC12C(N)=NC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BYXIIYMMURESAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-13-10-18-9-8-16(13)14(17)19-15(21)20(16)11-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3,(H2,17,19,21).
What are the key properties of 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 114510779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).