2-imino-N-propan-2-ylpropanamide

C6H12N2O — CID 54246358

IUPAC2-imino-N-propan-2-ylpropanamide
SMILES[H]/N=C(\C)C(=O)NC(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)8-6(9)5(3)7/h4,7H,1-3H3,(H,8,9)/b7-5+
InChIKeyQTNXNGUSEHPKDK-FNORWQNLSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds2

About 2-imino-N-propan-2-ylpropanamide

2-imino-N-propan-2-ylpropanamide (PubChem CID 54246358) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-imino-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-imino-N-propan-2-ylpropanamide
PubChem CID54246358
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-imino-N-propan-2-ylpropanamide
SMILES[H]/N=C(\C)C(=O)NC(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)8-6(9)5(3)7/h4,7H,1-3H3,(H,8,9)/b7-5+
InChIKeyQTNXNGUSEHPKDK-FNORWQNLSA-N
XLogP0.55
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
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-imino-N-propan-2-ylpropanamide?
The IUPAC name of 2-imino-N-propan-2-ylpropanamide (CID 54246358) is 2-imino-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-imino-N-propan-2-ylpropanamide?
The canonical SMILES for 2-imino-N-propan-2-ylpropanamide is [H]/N=C(\C)C(=O)NC(C)C.
What is the InChIKey of 2-imino-N-propan-2-ylpropanamide?
The InChIKey is QTNXNGUSEHPKDK-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)8-6(9)5(3)7/h4,7H,1-3H3,(H,8,9)/b7-5+.
What are the key properties of 2-imino-N-propan-2-ylpropanamide?
2-imino-N-propan-2-ylpropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-propan-2-ylpropanamide is sourced from PubChem (CID 54246358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).