tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone

C10H18CoN2O3-4 — CID 161382044

IUPACtert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone
SMILESC/N=C(\C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Co]
InChIInChI=1S/C7H15N2.3CHO.Co/c1-6(8-5)9-7(2,3)4;3*1-2;/h1-5H3;3*1H;/q4*-1;
InChIKeyYKTBHWHXFQQJQZ-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.38
Rot. Bonds

About tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone

tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone (PubChem CID 161382044) has the molecular formula C10H18CoN2O3-4 and a molecular weight of 273.20 g/mol. Its IUPAC name is tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone.

Molecular Properties

Compound Nametert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone
PubChem CID161382044
Molecular FormulaC10H18CoN2O3-4
Molecular Weight273.20 g/mol
Exact Mass273.07
IUPAC Nametert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone
SMILESC/N=C(\C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Co]
InChIInChI=1S/C7H15N2.3CHO.Co/c1-6(8-5)9-7(2,3)4;3*1-2;/h1-5H3;3*1H;/q4*-1;
InChIKeyYKTBHWHXFQQJQZ-UHFFFAOYSA-N
XLogP1.38
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone?
The IUPAC name of tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone (CID 161382044) is tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone.
What is the SMILES notation for tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone?
The canonical SMILES for tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone is C/N=C(\C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Co].
What is the InChIKey of tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone?
The InChIKey is YKTBHWHXFQQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.3CHO.Co/c1-6(8-5)9-7(2,3)4;3*1-2;/h1-5H3;3*1H;/q4*-1;.
What are the key properties of tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone?
tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone has a molecular weight of 273.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(C,N-dimethylcarbonimidoyl)azanide;cobalt;methanone is sourced from PubChem (CID 161382044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).