3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium

C9H18NOV- — CID 59906285

IUPAC3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium
SMILESCC(C)C(=O)[CH-]N(C)C(C)C.[V]
InChIInChI=1S/C9H18NO.V/c1-7(2)9(11)6-10(5)8(3)4;/h6-8H,1-5H3;/q-1;
InChIKeyODJSHQYPQALYJE-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.71
Rot. Bonds4

About 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium

3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium (PubChem CID 59906285) has the molecular formula C9H18NOV- and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium.

Molecular Properties

Compound Name3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium
PubChem CID59906285
Molecular FormulaC9H18NOV-
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium
SMILESCC(C)C(=O)[CH-]N(C)C(C)C.[V]
InChIInChI=1S/C9H18NO.V/c1-7(2)9(11)6-10(5)8(3)4;/h6-8H,1-5H3;/q-1;
InChIKeyODJSHQYPQALYJE-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium?
The IUPAC name of 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium (CID 59906285) is 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium.
What is the SMILES notation for 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium?
The canonical SMILES for 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium is CC(C)C(=O)[CH-]N(C)C(C)C.[V].
What is the InChIKey of 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium?
The InChIKey is ODJSHQYPQALYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.V/c1-7(2)9(11)6-10(5)8(3)4;/h6-8H,1-5H3;/q-1;.
What are the key properties of 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium?
3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium has a molecular weight of 207.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(propan-2-yl)amino]butan-2-one;vanadium is sourced from PubChem (CID 59906285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).