N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide

C10H19N3O — CID 134406573

IUPACN-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(/C=C/C=C(/C)N)C(C)=O
InChIInChI=1S/C10H19N3O/c1-9(11)5-4-7-13(10(2)14)8-6-12-3/h4-5,7,12H,6,8,11H2,1-3H3/b7-4+,9-5-
InChIKeyVFPJEJGRUVCMKD-HQHVODAESA-N
MW197.28 g/mol
LogP0.43
Rot. Bonds5

About N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide

N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide (PubChem CID 134406573) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide
PubChem CID134406573
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(/C=C/C=C(/C)N)C(C)=O
InChIInChI=1S/C10H19N3O/c1-9(11)5-4-7-13(10(2)14)8-6-12-3/h4-5,7,12H,6,8,11H2,1-3H3/b7-4+,9-5-
InChIKeyVFPJEJGRUVCMKD-HQHVODAESA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide (CID 134406573) is N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide is CNCCN(/C=C/C=C(/C)N)C(C)=O.
What is the InChIKey of N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is VFPJEJGRUVCMKD-HQHVODAESA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(11)5-4-7-13(10(2)14)8-6-12-3/h4-5,7,12H,6,8,11H2,1-3H3/b7-4+,9-5-.
What are the key properties of N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide?
N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 134406573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).