2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide

C11H18N2O — CID 166944354

IUPAC2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide
SMILESC=C(C)C(/N=C(\C)C(=O)NC)=C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10(8(3)4)13-9(5)11(14)12-6/h1H2,2-6H3,(H,12,14)/b13-9+
InChIKeyWIPQREDAJIMVRF-UKTHLTGXSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds3

About 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide

2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide (PubChem CID 166944354) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide
PubChem CID166944354
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide
SMILESC=C(C)C(/N=C(\C)C(=O)NC)=C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10(8(3)4)13-9(5)11(14)12-6/h1H2,2-6H3,(H,12,14)/b13-9+
InChIKeyWIPQREDAJIMVRF-UKTHLTGXSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide?
The IUPAC name of 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide (CID 166944354) is 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide.
What is the SMILES notation for 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide?
The canonical SMILES for 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide is C=C(C)C(/N=C(\C)C(=O)NC)=C(C)C.
What is the InChIKey of 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide?
The InChIKey is WIPQREDAJIMVRF-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10(8(3)4)13-9(5)11(14)12-6/h1H2,2-6H3,(H,12,14)/b13-9+.
What are the key properties of 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide?
2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide is sourced from PubChem (CID 166944354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).