N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide

C7H14N2O — CID 134354446

IUPACN-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
SMILESC/N=C(\C)NC(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)7(10)9-6(3)8-4/h5H,1-4H3,(H,8,9,10)
InChIKeyJNEVWIKLMDLJTN-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds1

About N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide

N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide (PubChem CID 134354446) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
PubChem CID134354446
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
SMILESC/N=C(\C)NC(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)7(10)9-6(3)8-4/h5H,1-4H3,(H,8,9,10)
InChIKeyJNEVWIKLMDLJTN-UHFFFAOYSA-N
XLogP0.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.81
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 N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide?
The IUPAC name of N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide (CID 134354446) is N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide.
What is the SMILES notation for N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide?
The canonical SMILES for N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide is C/N=C(\C)NC(=O)C(C)C.
What is the InChIKey of N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide?
The InChIKey is JNEVWIKLMDLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)7(10)9-6(3)8-4/h5H,1-4H3,(H,8,9,10).
What are the key properties of N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide?
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide has a molecular weight of 142.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide is sourced from PubChem (CID 134354446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).