4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

C16H21N3O — CID 79967773

IUPAC4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1(C)CCCC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-15(2)9-6-10-16(15)13(17)18-14(20)19(16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQDWKUNDRWHMAQW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds2

About 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967773) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967773
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1(C)CCCC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-15(2)9-6-10-16(15)13(17)18-14(20)19(16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQDWKUNDRWHMAQW-UHFFFAOYSA-N
XLogP2.93
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-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-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 106664537
4-amino-1-benzyl-5-(2,2-dimethoxyethyl)-5-methylimidazol-2-one
CID 79972959
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
CID 82855845
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
4-amino-1-benzyl-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510779
4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420729
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 58949885
1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79507017

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967773) is 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is CC1(C)CCCC12C(N)=NC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is QDWKUNDRWHMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-15(2)9-6-10-16(15)13(17)18-14(20)19(16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).