carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium

C11H23NOVW-2 — CID 59400935

IUPACcarbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium
SMILES[CH2-]C(C)C(C)C(C(C)=O)N(C)C.[CH3-].[V].[W]
InChIInChI=1S/C10H20NO.CH3.V.W/c1-7(2)8(3)10(9(4)12)11(5)6;;;/h7-8,10H,1H2,2-6H3;1H3;;/q2*-1;;
InChIKeyMDJZRONYILLABM-UHFFFAOYSA-N
MW420.10 g/mol
LogP2.06
Rot. Bonds4

About carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium

carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium (PubChem CID 59400935) has the molecular formula C11H23NOVW-2 and a molecular weight of 420.10 g/mol. Its IUPAC name is carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium.

Molecular Properties

Compound Namecarbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium
PubChem CID59400935
Molecular FormulaC11H23NOVW-2
Molecular Weight420.10 g/mol
Exact Mass420.07
IUPAC Namecarbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium
SMILES[CH2-]C(C)C(C)C(C(C)=O)N(C)C.[CH3-].[V].[W]
InChIInChI=1S/C10H20NO.CH3.V.W/c1-7(2)8(3)10(9(4)12)11(5)6;;;/h7-8,10H,1H2,2-6H3;1H3;;/q2*-1;;
InChIKeyMDJZRONYILLABM-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;3-methanidylbutan-2-one;oxocobalt
CID 173489381
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186
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CID 71299250
2,3-bis(dimethylamino)butanoic acid
CID 23346831
(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082
4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
CID 144581032
(3S,4R,5R)-3-(dimethylamino)-4,6-dihydroxy-5-methyl-6-phenylhexan-2-one
CID 71016776
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
3,4,5-trimethylhex-5-en-2-one
CID 123545933
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341

Frequently Asked Questions

What is the IUPAC name of carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium?
The IUPAC name of carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium (CID 59400935) is carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium.
What is the SMILES notation for carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium?
The canonical SMILES for carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium is [CH2-]C(C)C(C)C(C(C)=O)N(C)C.[CH3-].[V].[W].
What is the InChIKey of carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium?
The InChIKey is MDJZRONYILLABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO.CH3.V.W/c1-7(2)8(3)10(9(4)12)11(5)6;;;/h7-8,10H,1H2,2-6H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium?
carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium has a molecular weight of 420.10 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-(dimethylamino)-5-methanidyl-4-methylhexan-2-one;tungsten;vanadium is sourced from PubChem (CID 59400935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).