2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide

C11H18N2O — CID 137392199

IUPAC2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide
SMILESC=N/C=C\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-9(7-8-12-5)13-10(14)11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b8-7-,9-6+
InChIKeyQHCBJGGQMWVCKX-SOKJVCRVSA-N
MW194.28 g/mol
LogP2.27
Rot. Bonds3

About 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide

2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide (PubChem CID 137392199) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide
PubChem CID137392199
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide
SMILESC=N/C=C\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-9(7-8-12-5)13-10(14)11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b8-7-,9-6+
InChIKeyQHCBJGGQMWVCKX-SOKJVCRVSA-N
XLogP2.27
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 ≤ 52.27
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-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide (CID 137392199) is 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide is C=N/C=C\C(=C/C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide?
The InChIKey is QHCBJGGQMWVCKX-SOKJVCRVSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-9(7-8-12-5)13-10(14)11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b8-7-,9-6+.
What are the key properties of 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide?
2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide is sourced from PubChem (CID 137392199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).