(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine

C18H29N — CID 167133024

IUPAC(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine
SMILESC/C=C(\C=C/C/C=C\CCN)C/C=C\C/C=C\CC
InChIInChI=1S/C18H29N/c1-3-5-6-7-9-12-15-18(4-2)16-13-10-8-11-14-17-19/h4-6,8-9,11-13,16H,3,7,10,14-15,17,19H2,1-2H3/b6-5-,11-8-,12-9-,16-13-,18-4-
InChIKeyGWFJIGYWWNFKLM-QALKZGOBSA-N
MW259.44 g/mol
LogP5.09
Rot. Bonds10

About (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine

(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine (PubChem CID 167133024) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine.

Molecular Properties

Compound Name(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine
PubChem CID167133024
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine
SMILESC/C=C(\C=C/C/C=C\CCN)C/C=C\C/C=C\CC
InChIInChI=1S/C18H29N/c1-3-5-6-7-9-12-15-18(4-2)16-13-10-8-11-14-17-19/h4-6,8-9,11-13,16H,3,7,10,14-15,17,19H2,1-2H3/b6-5-,11-8-,12-9-,16-13-,18-4-
InChIKeyGWFJIGYWWNFKLM-QALKZGOBSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;ethane-1,2-diamine
CID 72946336
(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
CID 157366547
pentadeca-3,6,9,12-tetraene
CID 123748490
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
CID 158915698
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
CID 122652097
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510
docosa-4,7,10,13,16,19-hexaenoyl chloride
CID 57304560
3-ethylideneoct-4-enal
CID 57277151

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine?
The IUPAC name of (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine (CID 167133024) is (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine.
What is the SMILES notation for (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine?
The canonical SMILES for (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine is C/C=C(\C=C/C/C=C\CCN)C/C=C\C/C=C\CC.
What is the InChIKey of (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine?
The InChIKey is GWFJIGYWWNFKLM-QALKZGOBSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-6-7-9-12-15-18(4-2)16-13-10-8-11-14-17-19/h4-6,8-9,11-13,16H,3,7,10,14-15,17,19H2,1-2H3/b6-5-,11-8-,12-9-,16-13-,18-4-.
What are the key properties of (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine?
(3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z,10Z,13Z)-8-ethylidenehexadeca-3,6,10,13-tetraen-1-amine is sourced from PubChem (CID 167133024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).