2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide

C7H14N4O — CID 59091067

IUPAC2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
SMILES[H]/N=C/C(=N\C)NC(C)C(=O)NC
InChIInChI=1S/C7H14N4O/c1-5(7(12)10-3)11-6(4-8)9-2/h4-5,8H,1-3H3,(H,9,11)(H,10,12)/b8-4+
InChIKeyKDLIQWFEWUEFGC-XBXARRHUSA-N
MW170.22 g/mol
LogP-0.61
Rot. Bonds3

About 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide

2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide (PubChem CID 59091067) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
PubChem CID59091067
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
SMILES[H]/N=C/C(=N\C)NC(C)C(=O)NC
InChIInChI=1S/C7H14N4O/c1-5(7(12)10-3)11-6(4-8)9-2/h4-5,8H,1-3H3,(H,9,11)(H,10,12)/b8-4+
InChIKeyKDLIQWFEWUEFGC-XBXARRHUSA-N
XLogP-0.61
TPSA77.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide (CID 59091067) is 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide is [H]/N=C/C(=N\C)NC(C)C(=O)NC.
What is the InChIKey of 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The InChIKey is KDLIQWFEWUEFGC-XBXARRHUSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(7(12)10-3)11-6(4-8)9-2/h4-5,8H,1-3H3,(H,9,11)(H,10,12)/b8-4+.
What are the key properties of 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide has a molecular weight of 170.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide is sourced from PubChem (CID 59091067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).