3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one

C11H21N2OP — CID 167147314

IUPAC3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one
SMILESC=C=C(C(P)NC)N(C)C(C)(C)C(C)=O
InChIInChI=1S/C11H21N2OP/c1-7-9(10(15)12-5)13(6)11(3,4)8(2)14/h10,12H,1,15H2,2-6H3
InChIKeyYQRXQQTZKZTHQL-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.38
Rot. Bonds5

About 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one

3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one (PubChem CID 167147314) has the molecular formula C11H21N2OP and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one
PubChem CID167147314
Molecular FormulaC11H21N2OP
Molecular Weight228.28 g/mol
Exact Mass228.14
IUPAC Name3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one
SMILESC=C=C(C(P)NC)N(C)C(C)(C)C(C)=O
InChIInChI=1S/C11H21N2OP/c1-7-9(10(15)12-5)13(6)11(3,4)8(2)14/h10,12H,1,15H2,2-6H3
InChIKeyYQRXQQTZKZTHQL-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-3-methylbutan-2-one
CID 12054302
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine
CID 166907388
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
CID 89050454
3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one
CID 12688061
N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63966379
propa-1,2-diene;propan-2-one
CID 159669386
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
3-hydroxy-3-(methylamino)butan-2-one
CID 59918462
N,N-dimethyl-1-phosphanylformamide;ethane;2-(methylamino)-3-oxobutanal;methyl trifluoromethanesulfonate
CID 90719434
N-[dimethylamino(methylamino)methyl]acetamide
CID 131999819
2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one?
The IUPAC name of 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one (CID 167147314) is 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one.
What is the SMILES notation for 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one?
The canonical SMILES for 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one is C=C=C(C(P)NC)N(C)C(C)(C)C(C)=O.
What is the InChIKey of 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one?
The InChIKey is YQRXQQTZKZTHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2OP/c1-7-9(10(15)12-5)13(6)11(3,4)8(2)14/h10,12H,1,15H2,2-6H3.
What are the key properties of 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one?
3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one has a molecular weight of 228.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one is sourced from PubChem (CID 167147314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).