(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane

C14H25NO2 — CID 144949441

IUPAC(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane
SMILESC=C/C=C\C(=C/C=C)C(N)C=O.CC.COC
InChIInChI=1S/C10H13NO.C2H6O.C2H6/c1-3-5-7-9(6-4-2)10(11)8-12;1-3-2;1-2/h3-8,10H,1-2,11H2;1-2H3;1-2H3/b7-5-,9-6+;;
InChIKeyRANDCGYHGARZTL-GZFYBLGYSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds5

About (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane

(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane (PubChem CID 144949441) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane.

Molecular Properties

Compound Name(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane
PubChem CID144949441
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane
SMILESC=C/C=C\C(=C/C=C)C(N)C=O.CC.COC
InChIInChI=1S/C10H13NO.C2H6O.C2H6/c1-3-5-7-9(6-4-2)10(11)8-12;1-3-2;1-2/h3-8,10H,1-2,11H2;1-2H3;1-2H3/b7-5-,9-6+;;
InChIKeyRANDCGYHGARZTL-GZFYBLGYSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
ethane;methyl (3E,5Z)-octa-1,3,5,7-tetraene-4-sulfonate
CID 145077139
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;ethyl (3S,4E,5Z)-4-ethylidene-3-hydroxyocta-5,7-dienoate
CID 145420961
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate
CID 176968021
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane?
The IUPAC name of (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane (CID 144949441) is (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane.
What is the SMILES notation for (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane?
The canonical SMILES for (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane is C=C/C=C\C(=C/C=C)C(N)C=O.CC.COC.
What is the InChIKey of (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane?
The InChIKey is RANDCGYHGARZTL-GZFYBLGYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6O.C2H6/c1-3-5-7-9(6-4-2)10(11)8-12;1-3-2;1-2/h3-8,10H,1-2,11H2;1-2H3;1-2H3/b7-5-,9-6+;;.
What are the key properties of (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane?
(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane has a molecular weight of 239.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane is sourced from PubChem (CID 144949441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).