(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one

C24H37NO — CID 157366547

IUPAC(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CCCN
InChIInChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyJFCPIFLODLOHPO-KUBAVDMBSA-N
MW355.57 g/mol
LogP6.38
Rot. Bonds16

About (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one

(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one (PubChem CID 157366547) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one.

Molecular Properties

Compound Name(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
PubChem CID157366547
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CCCN
InChIInChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyJFCPIFLODLOHPO-KUBAVDMBSA-N
XLogP6.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one with MolForge

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Related Compounds

(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
CID 158915698
[(6Z,9Z,12Z)-4-oxopentadeca-6,9,12-trienyl] (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 59915708
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;ethane-1,2-diamine
CID 72946336
(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid
CID 91667404
ethyl (3Z,6Z)-nona-3,6-dienoate
CID 122667686
icosa-5,8,11,14,17-pentaenamide
CID 160981167
13-methyldocosa-7,10,13,16,19-pentaen-3-one
CID 123703858
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one?
The IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one (CID 157366547) is (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one.
What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one?
The canonical SMILES for (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CCCN.
What is the InChIKey of (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one?
The InChIKey is JFCPIFLODLOHPO-KUBAVDMBSA-N. The full InChI is InChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one?
(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one has a molecular weight of 355.57 g/mol, XLogP of 6.38, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one is sourced from PubChem (CID 157366547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).