N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide

C12H25N5O — CID 172981530

IUPACN-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide
SMILESCC(N)=N/N=C/C(C)C.[H]/N=C(\C)NC(=O)C(C)C
InChIInChI=1S/C6H13N3.C6H12N2O/c1-5(2)4-8-9-6(3)7;1-4(2)6(9)8-5(3)7/h4-5H,1-3H3,(H2,7,9);4H,1-3H3,(H2,7,8,9)/b8-4+;
InChIKeyWNHYBRMLTFPOKT-ZFXMFRGYSA-N
MW255.37 g/mol
LogP1.76
Rot. Bonds3

About N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide

N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide (PubChem CID 172981530) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide.

Molecular Properties

Compound NameN-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide
PubChem CID172981530
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide
SMILESCC(N)=N/N=C/C(C)C.[H]/N=C(\C)NC(=O)C(C)C
InChIInChI=1S/C6H13N3.C6H12N2O/c1-5(2)4-8-9-6(3)7;1-4(2)6(9)8-5(3)7/h4-5H,1-3H3,(H2,7,9);4H,1-3H3,(H2,7,8,9)/b8-4+;
InChIKeyWNHYBRMLTFPOKT-ZFXMFRGYSA-N
XLogP1.76
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide
CID 137106978
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986

Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide?
The IUPAC name of N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide (CID 172981530) is N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide.
What is the SMILES notation for N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide?
The canonical SMILES for N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide is CC(N)=N/N=C/C(C)C.[H]/N=C(\C)NC(=O)C(C)C.
What is the InChIKey of N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide?
The InChIKey is WNHYBRMLTFPOKT-ZFXMFRGYSA-N. The full InChI is InChI=1S/C6H13N3.C6H12N2O/c1-5(2)4-8-9-6(3)7;1-4(2)6(9)8-5(3)7/h4-5H,1-3H3,(H2,7,9);4H,1-3H3,(H2,7,8,9)/b8-4+;.
What are the key properties of N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide?
N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide has a molecular weight of 255.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide is sourced from PubChem (CID 172981530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).