5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal

C39H71NO — CID 166078522

IUPAC5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal
SMILESCCCC/C=C/C=C/CCCCCCC(C)CN(CCCCC=O)CC(C)CCCCC/C=C/C=C/CCCCC
InChIInChI=1S/C39H71NO/c1-5-7-9-11-13-15-17-19-21-23-25-28-32-38(3)36-40(34-30-27-31-35-41)37-39(4)33-29-26-24-22-20-18-16-14-12-10-8-6-2/h11,13-18,20,35,38-39H,5-10,12,19,21-34,36-37H2,1-4H3/b13-11+,16-14+,17-15+,20-18+
InChIKeyVUXOGGXZEWVKKS-USWDAXQBSA-N
MW570.00 g/mol
LogP12.22
Rot. Bonds31

About 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal

5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal (PubChem CID 166078522) has the molecular formula C39H71NO and a molecular weight of 570.00 g/mol. Its IUPAC name is 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal.

Molecular Properties

Compound Name5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal
PubChem CID166078522
Molecular FormulaC39H71NO
Molecular Weight570.00 g/mol
Exact Mass569.55
IUPAC Name5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal
SMILESCCCC/C=C/C=C/CCCCCCC(C)CN(CCCCC=O)CC(C)CCCCC/C=C/C=C/CCCCC
InChIInChI=1S/C39H71NO/c1-5-7-9-11-13-15-17-19-21-23-25-28-32-38(3)36-40(34-30-27-31-35-41)37-39(4)33-29-26-24-22-20-18-16-14-12-10-8-6-2/h11,13-18,20,35,38-39H,5-10,12,19,21-34,36-37H2,1-4H3/b13-11+,16-14+,17-15+,20-18+
InChIKeyVUXOGGXZEWVKKS-USWDAXQBSA-N
XLogP12.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.00
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3E,5E)-12-[ethyl(methyl)amino]-6-methyldodeca-1,3,5-trien-3-yl]cyclohex-3-ene-1-carbaldehyde
CID 126662538
5-[[(4S,9E)-3,12-dimethyl-8-methylidene-10-propyltrideca-9,12-dien-4-yl]-[(Z)-hept-5-enyl]amino]pentanal
CID 138658038
(5E)-4-[[bis(2-methylbutan-2-yl)amino]methyl]-5-[(Z)-prop-1-enyl]octa-5,7-dienal
CID 144956501
(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal
CID 146462803
(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal
CID 146462909
6-[2-(dimethylamino)ethyl-[(E)-8,12,16,20-tetramethylhenicos-7-enyl]amino]hexanal
CID 156033433
(Z)-18-[2-(dimethylamino)ethyl]heptacos-7-enal
CID 169098000
(17E,20Z,23Z)-10-[2-[ethyl(methyl)amino]ethyl]nonacosa-17,20,23-trienal
CID 170069333
(14E,20Z)-10-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]docosa-14,20-dienal
CID 170069350
(Z)-1-(dimethylamino)-6-[(9Z,11E)-heptadeca-9,11-dienyl]tetracos-15-en-5-one
CID 170127626
(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
CID 174095582

Frequently Asked Questions

What is the IUPAC name of 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal?
The IUPAC name of 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal (CID 166078522) is 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal.
What is the SMILES notation for 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal?
The canonical SMILES for 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal is CCCC/C=C/C=C/CCCCCCC(C)CN(CCCCC=O)CC(C)CCCCC/C=C/C=C/CCCCC.
What is the InChIKey of 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal?
The InChIKey is VUXOGGXZEWVKKS-USWDAXQBSA-N. The full InChI is InChI=1S/C39H71NO/c1-5-7-9-11-13-15-17-19-21-23-25-28-32-38(3)36-40(34-30-27-31-35-41)37-39(4)33-29-26-24-22-20-18-16-14-12-10-8-6-2/h11,13-18,20,35,38-39H,5-10,12,19,21-34,36-37H2,1-4H3/b13-11+,16-14+,17-15+,20-18+.
What are the key properties of 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal?
5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal has a molecular weight of 570.00 g/mol, XLogP of 12.22, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8E,10E)-2-methylhexadeca-8,10-dienyl]-[(9E,11E)-2-methylhexadeca-9,11-dienyl]amino]pentanal is sourced from PubChem (CID 166078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).