2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine

C11H19NO — CID 142607570

IUPAC2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine
SMILESC=C/C(=C\C=C/C)COCCNC
InChIInChI=1S/C11H19NO/c1-4-6-7-11(5-2)10-13-9-8-12-3/h4-7,12H,2,8-10H2,1,3H3/b6-4-,11-7+
InChIKeySLODCEOXGLRYRC-WXVRQDIQSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds7

About 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine

2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine (PubChem CID 142607570) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine
PubChem CID142607570
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine
SMILESC=C/C(=C\C=C/C)COCCNC
InChIInChI=1S/C11H19NO/c1-4-6-7-11(5-2)10-13-9-8-12-3/h4-7,12H,2,8-10H2,1,3H3/b6-4-,11-7+
InChIKeySLODCEOXGLRYRC-WXVRQDIQSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(2S)-N-methyl-1-[(2E)-2-methylocta-2,4,5,7-tetraenoxy]propan-2-amine
CID 130374195
1-[(2E)-2-ethenylpenta-2,4-dienoxy]propan-2-amine
CID 141848142
2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
CID 142068009
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
CID 142079041
2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine
CID 142832245
N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene
CID 143712106
N-ethyl-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxyethanamine
CID 143864896
N-[[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]methyl]ethanamine
CID 144198362

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine?
The IUPAC name of 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine (CID 142607570) is 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine?
The canonical SMILES for 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine is C=C/C(=C\C=C/C)COCCNC.
What is the InChIKey of 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine?
The InChIKey is SLODCEOXGLRYRC-WXVRQDIQSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-7-11(5-2)10-13-9-8-12-3/h4-7,12H,2,8-10H2,1,3H3/b6-4-,11-7+.
What are the key properties of 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine?
2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine is sourced from PubChem (CID 142607570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).