2-methylimino-N-propan-2-ylpropanamide

C7H14N2O — CID 54222659

IUPAC2-methylimino-N-propan-2-ylpropanamide
SMILESC/N=C(\C)C(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)6(3)8-4/h5H,1-4H3,(H,9,10)/b8-6+
InChIKeyQDRQMWBSHQNHDI-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.60
Rot. Bonds2

About 2-methylimino-N-propan-2-ylpropanamide

2-methylimino-N-propan-2-ylpropanamide (PubChem CID 54222659) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methylimino-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methylimino-N-propan-2-ylpropanamide
PubChem CID54222659
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-methylimino-N-propan-2-ylpropanamide
SMILESC/N=C(\C)C(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)6(3)8-4/h5H,1-4H3,(H,9,10)/b8-6+
InChIKeyQDRQMWBSHQNHDI-SOFGYWHQSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-N-propan-2-ylpropanamide?
The IUPAC name of 2-methylimino-N-propan-2-ylpropanamide (CID 54222659) is 2-methylimino-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methylimino-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methylimino-N-propan-2-ylpropanamide is C/N=C(\C)C(=O)NC(C)C.
What is the InChIKey of 2-methylimino-N-propan-2-ylpropanamide?
The InChIKey is QDRQMWBSHQNHDI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)9-7(10)6(3)8-4/h5H,1-4H3,(H,9,10)/b8-6+.
What are the key properties of 2-methylimino-N-propan-2-ylpropanamide?
2-methylimino-N-propan-2-ylpropanamide has a molecular weight of 142.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-N-propan-2-ylpropanamide is sourced from PubChem (CID 54222659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).