(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine

C19H29NO — CID 167074200

IUPAC(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine
SMILESC=CC/C(=C/OCNCC(=C=C/C=C\CC)C=C)CCC
InChIInChI=1S/C19H29NO/c1-5-9-10-11-14-18(8-4)15-20-17-21-16-19(12-6-2)13-7-3/h6,8-11,16,20H,2,4-5,7,12-13,15,17H2,1,3H3/b10-9-,19-16-
InChIKeyWUFZQSZUFBUFEO-JSKOQASCSA-N
MW287.45 g/mol
LogP5.04
Rot. Bonds12

About (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine

(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine (PubChem CID 167074200) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine.

Molecular Properties

Compound Name(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine
PubChem CID167074200
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine
SMILESC=CC/C(=C/OCNCC(=C=C/C=C\CC)C=C)CCC
InChIInChI=1S/C19H29NO/c1-5-9-10-11-14-18(8-4)15-20-17-21-16-19(12-6-2)13-7-3/h6,8-11,16,20H,2,4-5,7,12-13,15,17H2,1,3H3/b10-9-,19-16-
InChIKeyWUFZQSZUFBUFEO-JSKOQASCSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine with MolForge

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Related Compounds

(4E)-4-propylundeca-1,4-diene
CID 134903488
4-propylundeca-1,4-diene
CID 175604845
(4Z)-4-ethylidenehept-1-ene
CID 12841273
4-ethylidenedeca-1,7-diene
CID 72650230
di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane
CID 11550447
(5E)-2-methylnona-2,3,5-triene
CID 14173231
4-prop-2-enylocta-1,4-diene
CID 173317146
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
trideca-1,8,10-triene
CID 548898
(12Z,14Z)-heptadeca-1,12,14-triene
CID 6443230
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
(E)-non-2-enal;oct-1-en-3-one
CID 140527205

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine?
The IUPAC name of (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine (CID 167074200) is (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine.
What is the SMILES notation for (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine?
The canonical SMILES for (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine is C=CC/C(=C/OCNCC(=C=C/C=C\CC)C=C)CCC.
What is the InChIKey of (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine?
The InChIKey is WUFZQSZUFBUFEO-JSKOQASCSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-9-10-11-14-18(8-4)15-20-17-21-16-19(12-6-2)13-7-3/h6,8-11,16,20H,2,4-5,7,12-13,15,17H2,1,3H3/b10-9-,19-16-.
What are the key properties of (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine?
(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine has a molecular weight of 287.45 g/mol, XLogP of 5.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine is sourced from PubChem (CID 167074200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).