(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium

C15H24N2OV — CID 175895057

IUPAC(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium
SMILES[H]/N=C(/Oc1c(C)cccc1C)N(C(C)C)C(C)C.[V]
InChIInChI=1S/C15H24N2O.V/c1-10(2)17(11(3)4)15(16)18-14-12(5)8-7-9-13(14)6;/h7-11,16H,1-6H3;/b16-15+;
InChIKeyZOAURMWHLVMWMV-GEEYTBSJSA-N
MW299.31 g/mol
LogP3.73
Rot. Bonds3

About (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium

(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium (PubChem CID 175895057) has the molecular formula C15H24N2OV and a molecular weight of 299.31 g/mol. Its IUPAC name is (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium.

Molecular Properties

Compound Name(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium
PubChem CID175895057
Molecular FormulaC15H24N2OV
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium
SMILES[H]/N=C(/Oc1c(C)cccc1C)N(C(C)C)C(C)C.[V]
InChIInChI=1S/C15H24N2O.V/c1-10(2)17(11(3)4)15(16)18-14-12(5)8-7-9-13(14)6;/h7-11,16H,1-6H3;/b16-15+;
InChIKeyZOAURMWHLVMWMV-GEEYTBSJSA-N
XLogP3.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium?
The IUPAC name of (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium (CID 175895057) is (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium.
What is the SMILES notation for (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium?
The canonical SMILES for (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium is [H]/N=C(/Oc1c(C)cccc1C)N(C(C)C)C(C)C.[V].
What is the InChIKey of (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium?
The InChIKey is ZOAURMWHLVMWMV-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H24N2O.V/c1-10(2)17(11(3)4)15(16)18-14-12(5)8-7-9-13(14)6;/h7-11,16H,1-6H3;/b16-15+;.
What are the key properties of (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium?
(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium has a molecular weight of 299.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium is sourced from PubChem (CID 175895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).