2-but-1-en-2-ylimino-N,3-dimethylbutanamide

C10H18N2O — CID 167037268

IUPAC2-but-1-en-2-ylimino-N,3-dimethylbutanamide
SMILESC=C(CC)/N=C(/C(=O)NC)C(C)C
InChIInChI=1S/C10H18N2O/c1-6-8(4)12-9(7(2)3)10(13)11-5/h7H,4,6H2,1-3,5H3,(H,11,13)/b12-9+
InChIKeyZFJWNGKXMBIROC-FMIVXFBMSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds4

About 2-but-1-en-2-ylimino-N,3-dimethylbutanamide

2-but-1-en-2-ylimino-N,3-dimethylbutanamide (PubChem CID 167037268) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-but-1-en-2-ylimino-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-but-1-en-2-ylimino-N,3-dimethylbutanamide
PubChem CID167037268
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-but-1-en-2-ylimino-N,3-dimethylbutanamide
SMILESC=C(CC)/N=C(/C(=O)NC)C(C)C
InChIInChI=1S/C10H18N2O/c1-6-8(4)12-9(7(2)3)10(13)11-5/h7H,4,6H2,1-3,5H3,(H,11,13)/b12-9+
InChIKeyZFJWNGKXMBIROC-FMIVXFBMSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
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-but-1-en-2-ylimino-N,3-dimethylbutanamide?
The IUPAC name of 2-but-1-en-2-ylimino-N,3-dimethylbutanamide (CID 167037268) is 2-but-1-en-2-ylimino-N,3-dimethylbutanamide.
What is the SMILES notation for 2-but-1-en-2-ylimino-N,3-dimethylbutanamide?
The canonical SMILES for 2-but-1-en-2-ylimino-N,3-dimethylbutanamide is C=C(CC)/N=C(/C(=O)NC)C(C)C.
What is the InChIKey of 2-but-1-en-2-ylimino-N,3-dimethylbutanamide?
The InChIKey is ZFJWNGKXMBIROC-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-8(4)12-9(7(2)3)10(13)11-5/h7H,4,6H2,1-3,5H3,(H,11,13)/b12-9+.
What are the key properties of 2-but-1-en-2-ylimino-N,3-dimethylbutanamide?
2-but-1-en-2-ylimino-N,3-dimethylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-ylimino-N,3-dimethylbutanamide is sourced from PubChem (CID 167037268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).