1-(2-methylpropanoylamino)ethylideneazanide

C6H11N2O- — CID 149316648

IUPAC1-(2-methylpropanoylamino)ethylideneazanide
SMILESCC(=[N-])NC(=O)C(C)C
InChIInChI=1S/C6H11N2O/c1-4(2)6(9)8-5(3)7/h4H,1-3H3,(H-,7,8,9)/q-1
InChIKeyXZQHWCWHZKLECO-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.75
Rot. Bonds1

About 1-(2-methylpropanoylamino)ethylideneazanide

1-(2-methylpropanoylamino)ethylideneazanide (PubChem CID 149316648) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is 1-(2-methylpropanoylamino)ethylideneazanide.

Molecular Properties

Compound Name1-(2-methylpropanoylamino)ethylideneazanide
PubChem CID149316648
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name1-(2-methylpropanoylamino)ethylideneazanide
SMILESCC(=[N-])NC(=O)C(C)C
InChIInChI=1S/C6H11N2O/c1-4(2)6(9)8-5(3)7/h4H,1-3H3,(H-,7,8,9)/q-1
InChIKeyXZQHWCWHZKLECO-UHFFFAOYSA-N
XLogP0.75
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(N-methyl-C-propan-2-ylcarbonimidoyl)acetamide
CID 118408689
N-(1-acetamidoethylidene)-2-methylpropanamide
CID 123825715
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
CID 134354446
N-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
N-(2-methylpropanimidoyl)acetamide
CID 142079476
N-butanimidoylacetamide
CID 145288423
N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
CID 146416706
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-ethanimidoylacetamide
CID 149150437
N-ethanimidoylbutanamide
CID 152773111
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoylamino)ethylideneazanide?
The IUPAC name of 1-(2-methylpropanoylamino)ethylideneazanide (CID 149316648) is 1-(2-methylpropanoylamino)ethylideneazanide.
What is the SMILES notation for 1-(2-methylpropanoylamino)ethylideneazanide?
The canonical SMILES for 1-(2-methylpropanoylamino)ethylideneazanide is CC(=[N-])NC(=O)C(C)C.
What is the InChIKey of 1-(2-methylpropanoylamino)ethylideneazanide?
The InChIKey is XZQHWCWHZKLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O/c1-4(2)6(9)8-5(3)7/h4H,1-3H3,(H-,7,8,9)/q-1.
What are the key properties of 1-(2-methylpropanoylamino)ethylideneazanide?
1-(2-methylpropanoylamino)ethylideneazanide has a molecular weight of 127.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoylamino)ethylideneazanide is sourced from PubChem (CID 149316648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).