N-tert-butyl-N-methanidylacetamide;vanadium(2+)

C7H13NOV — CID 155639448

IUPACN-tert-butyl-N-methanidylacetamide;vanadium(2+)
SMILES[CH2-]C(=O)N([CH2-])C(C)(C)C.[V+2]
InChIInChI=1S/C7H13NO.V/c1-6(9)8(5)7(2,3)4;/h1,5H2,2-4H3;/q-2;+2
InChIKeyCYDGJWCPOVRRKY-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.24
Rot. Bonds

About N-tert-butyl-N-methanidylacetamide;vanadium(2+)

N-tert-butyl-N-methanidylacetamide;vanadium(2+) (PubChem CID 155639448) has the molecular formula C7H13NOV and a molecular weight of 178.13 g/mol. Its IUPAC name is N-tert-butyl-N-methanidylacetamide;vanadium(2+).

Molecular Properties

Compound NameN-tert-butyl-N-methanidylacetamide;vanadium(2+)
PubChem CID155639448
Molecular FormulaC7H13NOV
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC NameN-tert-butyl-N-methanidylacetamide;vanadium(2+)
SMILES[CH2-]C(=O)N([CH2-])C(C)(C)C.[V+2]
InChIInChI=1S/C7H13NO.V/c1-6(9)8(5)7(2,3)4;/h1,5H2,2-4H3;/q-2;+2
InChIKeyCYDGJWCPOVRRKY-UHFFFAOYSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-tert-butyl-N-methanidylacetamide;vanadium(2+)?
The IUPAC name of N-tert-butyl-N-methanidylacetamide;vanadium(2+) (CID 155639448) is N-tert-butyl-N-methanidylacetamide;vanadium(2+).
What is the SMILES notation for N-tert-butyl-N-methanidylacetamide;vanadium(2+)?
The canonical SMILES for N-tert-butyl-N-methanidylacetamide;vanadium(2+) is [CH2-]C(=O)N([CH2-])C(C)(C)C.[V+2].
What is the InChIKey of N-tert-butyl-N-methanidylacetamide;vanadium(2+)?
The InChIKey is CYDGJWCPOVRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.V/c1-6(9)8(5)7(2,3)4;/h1,5H2,2-4H3;/q-2;+2.
What are the key properties of N-tert-butyl-N-methanidylacetamide;vanadium(2+)?
N-tert-butyl-N-methanidylacetamide;vanadium(2+) has a molecular weight of 178.13 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methanidylacetamide;vanadium(2+) is sourced from PubChem (CID 155639448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).