2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

C12H21N3O — CID 82999310

IUPAC2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1CCC2(C1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C12H21N3O/c1-8-5-6-12(7-8)9(16)13-10(15-12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyPWVBXLIUOTYFLH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds

About 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 82999310) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID82999310
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1CCC2(C1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C12H21N3O/c1-8-5-6-12(7-8)9(16)13-10(15-12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyPWVBXLIUOTYFLH-UHFFFAOYSA-N
XLogP1.42
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 82998122
2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82999321
2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82997095
2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one
CID 82999065
2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998531
2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998898
4-tert-butyl-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
CID 82998969
2-(tert-butylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
CID 82998272
2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70828917
3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323
2-amino-6,9-dimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996603
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 82999310) is 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is CC1CCC2(C1)N=C(NC(C)(C)C)NC2=O.
What is the InChIKey of 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is PWVBXLIUOTYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-5-6-12(7-8)9(16)13-10(15-12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 82999310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).