N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide

C10H18N2O — CID 134406541

IUPACN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)/C(C)=C/C=C(/C)N
InChIInChI=1S/C10H18N2O/c1-5-12(10(4)13)9(3)7-6-8(2)11/h6-7H,5,11H2,1-4H3/b8-6-,9-7+
InChIKeyUGKHFGAUUVLFTO-MKKAVFGOSA-N
MW182.27 g/mol
LogP1.62
Rot. Bonds3

About N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide

N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide (PubChem CID 134406541) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide
PubChem CID134406541
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)/C(C)=C/C=C(/C)N
InChIInChI=1S/C10H18N2O/c1-5-12(10(4)13)9(3)7-6-8(2)11/h6-7H,5,11H2,1-4H3/b8-6-,9-7+
InChIKeyUGKHFGAUUVLFTO-MKKAVFGOSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide?
The IUPAC name of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide (CID 134406541) is N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide is CCN(C(C)=O)/C(C)=C/C=C(/C)N.
What is the InChIKey of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide?
The InChIKey is UGKHFGAUUVLFTO-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-12(10(4)13)9(3)7-6-8(2)11/h6-7H,5,11H2,1-4H3/b8-6-,9-7+.
What are the key properties of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide?
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide has a molecular weight of 182.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide is sourced from PubChem (CID 134406541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).