4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

C17H23N3O — CID 106664537

IUPAC4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CC(C)(C)CC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C17H23N3O/c1-12-9-16(2,3)11-17(12)14(18)19-15(21)20(17)10-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,19,21)
InChIKeyRINCRIWBFVQDDX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds2

About 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 106664537) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID106664537
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CC(C)(C)CC12C(N)=NC(=O)N2Cc1ccccc1
InChIInChI=1S/C17H23N3O/c1-12-9-16(2,3)11-17(12)14(18)19-15(21)20(17)10-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,19,21)
InChIKeyRINCRIWBFVQDDX-UHFFFAOYSA-N
XLogP3.17
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-6-ethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510779
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
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-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4-amino-1-benzyl-5-(2,2-dimethoxyethyl)-5-methylimidazol-2-one
CID 79972959
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967038
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 58949885
4-amino-1-cyclopropyl-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 81313980
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 106664537) is 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is CC1CC(C)(C)CC12C(N)=NC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is RINCRIWBFVQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-16(2,3)11-17(12)14(18)19-15(21)20(17)10-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-benzyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.17, 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-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 106664537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).