[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol

C19H31NO — CID 163654325

IUPAC[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCNCO
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyIOWFCOYYXPIGDO-JLNKQSITSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds13

About [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol

[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol (PubChem CID 163654325) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol.

Molecular Properties

Compound Name[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol
PubChem CID163654325
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCNCO
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyIOWFCOYYXPIGDO-JLNKQSITSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol with MolForge

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Related Compounds

[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
(E)-6-(propylamino)hex-3-en-1-ol
CID 143703504
(Z)-1-(methylamino)pent-3-en-1-ol
CID 143954579
(Pent-2-enylamino)methanol
CID 173057747
3-[[(E)-pent-3-enyl]amino]propan-1-ol
CID 116033857
(Z)-7-(methylamino)hept-4-en-1-ol
CID 117267269
[[(Z)-2-methylnon-3-enyl]amino]methanol
CID 143360686

Frequently Asked Questions

What is the IUPAC name of [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol?
The IUPAC name of [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol (CID 163654325) is [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol.
What is the SMILES notation for [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol?
The canonical SMILES for [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCNCO.
What is the InChIKey of [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol?
The InChIKey is IOWFCOYYXPIGDO-JLNKQSITSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol?
[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]amino]methanol is sourced from PubChem (CID 163654325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).