N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide

C11H21N3O — CID 134406426

IUPACN-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide
SMILESCCNCCN(C=O)/C=C/C/C=C(/C)N
InChIInChI=1S/C11H21N3O/c1-3-13-7-9-14(10-15)8-5-4-6-11(2)12/h5-6,8,10,13H,3-4,7,9,12H2,1-2H3/b8-5+,11-6-
InChIKeyHFTRZNOBDXUSMY-CZDIAPPSSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds8

About N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide

N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide (PubChem CID 134406426) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide.

Molecular Properties

Compound NameN-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide
PubChem CID134406426
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide
SMILESCCNCCN(C=O)/C=C/C/C=C(/C)N
InChIInChI=1S/C11H21N3O/c1-3-13-7-9-14(10-15)8-5-4-6-11(2)12/h5-6,8,10,13H,3-4,7,9,12H2,1-2H3/b8-5+,11-6-
InChIKeyHFTRZNOBDXUSMY-CZDIAPPSSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide?
The IUPAC name of N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide (CID 134406426) is N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide.
What is the SMILES notation for N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide?
The canonical SMILES for N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide is CCNCCN(C=O)/C=C/C/C=C(/C)N.
What is the InChIKey of N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide?
The InChIKey is HFTRZNOBDXUSMY-CZDIAPPSSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13-7-9-14(10-15)8-5-4-6-11(2)12/h5-6,8,10,13H,3-4,7,9,12H2,1-2H3/b8-5+,11-6-.
What are the key properties of N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide?
N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide has a molecular weight of 211.31 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide is sourced from PubChem (CID 134406426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).