N-[(E)-butan-2-ylideneamino]-2-methylpropanamide

C8H16N2O — CID 14510109

IUPACN-[(E)-butan-2-ylideneamino]-2-methylpropanamide
SMILESCC/C(C)=N/NC(=O)C(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(4)9-10-8(11)6(2)3/h6H,5H2,1-4H3,(H,10,11)/b9-7+
InChIKeyBKDASJWJXKAPDE-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.54
Rot. Bonds3

About N-[(E)-butan-2-ylideneamino]-2-methylpropanamide

N-[(E)-butan-2-ylideneamino]-2-methylpropanamide (PubChem CID 14510109) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-2-methylpropanamide
PubChem CID14510109
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(E)-butan-2-ylideneamino]-2-methylpropanamide
SMILESCC/C(C)=N/NC(=O)C(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(4)9-10-8(11)6(2)3/h6H,5H2,1-4H3,(H,10,11)/b9-7+
InChIKeyBKDASJWJXKAPDE-VQHVLOKHSA-N
XLogP1.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-5-pyrazolone
CID 97947
N'-(propan-2-ylidene)acetohydrazide
CID 242922
N-(propan-2-ylideneamino)propanamide
CID 238524
N',N''-cyclohexane-1,4-diylidenebis(2-methylpropanehydrazide)
CID 781793
N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 14338854
Methylethylketon-propionylhydrazon
CID 54149775
N'-[(2E)-3-methylbutan-2-ylidene]cyclopropanecarbohydrazide
CID 9678038
N'-[(2E)-butan-2-ylidene]cyclopropanecarbohydrazide
CID 9609705
Acethydrazide, N2-(1,2-dimethylpropylideno)-
CID 9602428
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 100973182
N-[(E)-5-methylhexan-2-ylideneamino]acetamide
CID 134896934
2-Cyano-N'-[(2E)-4-methylpentan-2-ylidene]acetohydrazide
CID 9689137

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butan-2-ylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-2-methylpropanamide (CID 14510109) is N-[(E)-butan-2-ylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-2-methylpropanamide is CC/C(C)=N/NC(=O)C(C)C.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-2-methylpropanamide?
The InChIKey is BKDASJWJXKAPDE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7(4)9-10-8(11)6(2)3/h6H,5H2,1-4H3,(H,10,11)/b9-7+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-2-methylpropanamide?
N-[(E)-butan-2-ylideneamino]-2-methylpropanamide has a molecular weight of 156.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-2-methylpropanamide is sourced from PubChem (CID 14510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).