2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one

C13H24N4O — CID 82998531

IUPAC2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
SMILESCN1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C13H24N4O/c1-12(2,3)15-11-14-10(18)13(16-11)6-5-8-17(4)9-7-13/h5-9H2,1-4H3,(H2,14,15,16,18)
InChIKeyYSIUQDIMEKMHKI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds

About 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one

2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one (PubChem CID 82998531) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
PubChem CID82998531
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
SMILESCN1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C13H24N4O/c1-12(2,3)15-11-14-10(18)13(16-11)6-5-8-17(4)9-7-13/h5-9H2,1-4H3,(H2,14,15,16,18)
InChIKeyYSIUQDIMEKMHKI-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)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82999321
2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998898
2-(tert-butylamino)-7,8-dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 82998122
2-(tert-butylamino)-N,N-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 83269650
2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82999310
9-methyl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65071381
tert-butylcarbamic acid;1-methylpiperidine
CID 175506910
8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 59165790
CID 68772535
CID 68772535
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
CID 177033435
1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
CID 143217136

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one (CID 82998531) is 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one is CN1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O.
What is the InChIKey of 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The InChIKey is YSIUQDIMEKMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2,3)15-11-14-10(18)13(16-11)6-5-8-17(4)9-7-13/h5-9H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
2-(tert-butylamino)-9-methyl-1,3,9-triazaspiro[4.6]undec-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)-9-methyl-1,3,9-triazaspiro[4.6]undec-1-en-4-one is sourced from PubChem (CID 82998531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).