1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C15H27N3O — CID 142066566

IUPAC1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=C1C(CC(C)C)NC(=O)C2(CCN(C)CC2)N1C
InChIInChI=1S/C15H27N3O/c1-11(2)10-13-12(3)18(5)15(14(19)16-13)6-8-17(4)9-7-15/h11,13H,3,6-10H2,1-2,4-5H3,(H,16,19)
InChIKeyWLYGJZSRFFZSDE-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.44
Rot. Bonds2

About 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 142066566) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID142066566
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=C1C(CC(C)C)NC(=O)C2(CCN(C)CC2)N1C
InChIInChI=1S/C15H27N3O/c1-11(2)10-13-12(3)18(5)15(14(19)16-13)6-8-17(4)9-7-15/h11,13H,3,6-10H2,1-2,4-5H3,(H,16,19)
InChIKeyWLYGJZSRFFZSDE-UHFFFAOYSA-N
XLogP1.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(5-Amino-3-fluoro-1,2,3,4-tetrahydropyridin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 130280051
9-[(E)-dec-1-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926225
9-[(E)-2-methylbut-1-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926987
3-(Methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one
CID 58298378
3,6-Di(butan-2-yl)-5-methylidenepiperazin-2-one
CID 70648150
9-Dec-1-enyl-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 73853488
9-(2-Methylbut-1-enyl)-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 73853490
9-[(Z)-dec-1-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 141591045
6,6-Diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one
CID 142066640
N-[4-[(3S)-2-methylidene-5-oxo-9-prop-2-enyl-1-propyl-1,4,9-triazaspiro[5.5]undecan-3-yl]butyl]acetamide
CID 142066823
1-Butyl-3-(cyclohexylmethyl)-5-methylidene-1,4,9-triazaspiro[5.5]undecan-2-one
CID 142066825
1-Butyl-5-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 142066829

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 142066566) is 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is C=C1C(CC(C)C)NC(=O)C2(CCN(C)CC2)N1C.
What is the InChIKey of 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is WLYGJZSRFFZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)10-13-12(3)18(5)15(14(19)16-13)6-8-17(4)9-7-15/h11,13H,3,6-10H2,1-2,4-5H3,(H,16,19).
What are the key properties of 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 265.40 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 142066566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).