2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C13H24N4O — CID 82998122

IUPAC2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1CC2(CCN1C)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C13H24N4O/c1-9-8-13(6-7-17(9)5)10(18)14-11(16-13)15-12(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,18)
InChIKeyZDAFAKNDXQPNRE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds

About 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 82998122) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID82998122
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1CC2(CCN1C)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C13H24N4O/c1-9-8-13(6-7-17(9)5)10(18)14-11(16-13)15-12(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,18)
InChIKeyZDAFAKNDXQPNRE-UHFFFAOYSA-N
XLogP0.71
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82999310
2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998531
2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82999321
2-(tert-butylamino)-N,N-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 83269650
2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998898
2-(tert-butylamino)-4-cyclopropyl-4-methyl-1H-imidazol-5-one
CID 82999065
9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 155895577
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82997095
4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391273
1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
CID 131113951
4-amino-1,2-dimethylpiperidine-4-carboxamide
CID 79003697

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 82998122) is 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1CC2(CCN1C)N=C(NC(C)(C)C)NC2=O.
What is the InChIKey of 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is ZDAFAKNDXQPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-8-13(6-7-17(9)5)10(18)14-11(16-13)15-12(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,18).
What are the key properties of 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 252.36 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82998122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).