N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane

C10H18N2O — CID 143930163

IUPACN-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
SMILESC=C/C=C(/NC(C)=O)C(=C)N.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-4-5-8(6(2)9)10-7(3)11;1-2/h4-5H,1-2,9H2,3H3,(H,10,11);1-2H3/b8-5+;
InChIKeyMJEBRCBPDUFESC-HAAWTFQLSA-N
MW182.27 g/mol
LogP1.69
Rot. Bonds3

About N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane

N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane (PubChem CID 143930163) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
PubChem CID143930163
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
SMILESC=C/C=C(/NC(C)=O)C(=C)N.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-4-5-8(6(2)9)10-7(3)11;1-2/h4-5H,1-2,9H2,3H3,(H,10,11);1-2H3/b8-5+;
InChIKeyMJEBRCBPDUFESC-HAAWTFQLSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
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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Related Compounds

methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
CID 89197729
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
CID 139357083
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
N-[(3E,5E)-5-acetylocta-1,3,5,7-tetraen-4-yl]-2-aminoacetamide
CID 134534499
acetamide;prop-2-enamide
CID 158566181
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
2,2-dimethyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]propanamide
CID 142174793
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]-4-[(Z)-3-cyclohepta-1,3,6-trien-1-yl-2-methyl-3-oxoprop-1-enyl]benzamide
CID 142928444

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane?
The IUPAC name of N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane (CID 143930163) is N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane.
What is the SMILES notation for N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane?
The canonical SMILES for N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane is C=C/C=C(/NC(C)=O)C(=C)N.CC.
What is the InChIKey of N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane?
The InChIKey is MJEBRCBPDUFESC-HAAWTFQLSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-4-5-8(6(2)9)10-7(3)11;1-2/h4-5H,1-2,9H2,3H3,(H,10,11);1-2H3/b8-5+;.
What are the key properties of N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane?
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane has a molecular weight of 182.27 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-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane is sourced from PubChem (CID 143930163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).