N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide

C8H16N2O — CID 14338854

IUPACN-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(8(3,4)5)9-10-7(2)11/h1-5H3,(H,10,11)/b9-6+
InChIKeyFXTNZBNSMUCKQK-RMKNXTFCSA-N
MW156.23 g/mol
LogP1.54
Rot. Bonds1

About N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide

N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide (PubChem CID 14338854) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
PubChem CID14338854
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(8(3,4)5)9-10-7(2)11/h1-5H3,(H,10,11)/b9-6+
InChIKeyFXTNZBNSMUCKQK-RMKNXTFCSA-N
XLogP1.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The IUPAC name of N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide (CID 14338854) is N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The canonical SMILES for N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide is CC(=O)N/N=C(\C)C(C)(C)C.
What is the InChIKey of N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The InChIKey is FXTNZBNSMUCKQK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(8(3,4)5)9-10-7(2)11/h1-5H3,(H,10,11)/b9-6+.
What are the key properties of N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide?
N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide has a molecular weight of 156.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 14338854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).