N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide

C11H18N2O — CID 89278168

IUPACN-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
SMILESC=C/C=C\C(=C/N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-5-6-7-9(8-12)13-10(14)11(2,3)4/h5-8H,1,12H2,2-4H3,(H,13,14)/b7-6-,9-8+
InChIKeyOKFOKKDTBXZHTJ-NMMTYZSQSA-N
MW194.28 g/mol
LogP1.69
Rot. Bonds3

About N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide

N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide (PubChem CID 89278168) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
PubChem CID89278168
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
SMILESC=C/C=C\C(=C/N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-5-6-7-9(8-12)13-10(14)11(2,3)4/h5-8H,1,12H2,2-4H3,(H,13,14)/b7-6-,9-8+
InChIKeyOKFOKKDTBXZHTJ-NMMTYZSQSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide (CID 89278168) is N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide is C=C/C=C\C(=C/N)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OKFOKKDTBXZHTJ-NMMTYZSQSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-7-9(8-12)13-10(14)11(2,3)4/h5-8H,1,12H2,2-4H3,(H,13,14)/b7-6-,9-8+.
What are the key properties of N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide?
N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 89278168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).