(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal

C34H65NO — CID 146462909

IUPAC(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCCN(C)C
InChIInChI=1S/C34H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29-34(31-28-32-35(2)3)30-26-23-20-18-21-24-27-33-36/h8-9,11-12,33-34H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-
InChIKeyJBPAWNCPLILHDY-MURFETPASA-N
MW503.90 g/mol
LogP10.86
Rot. Bonds29

About (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal

(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal (PubChem CID 146462909) has the molecular formula C34H65NO and a molecular weight of 503.90 g/mol. Its IUPAC name is (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal.

Molecular Properties

Compound Name(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal
PubChem CID146462909
Molecular FormulaC34H65NO
Molecular Weight503.90 g/mol
Exact Mass503.51
IUPAC Name(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCCN(C)C
InChIInChI=1S/C34H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29-34(31-28-32-35(2)3)30-26-23-20-18-21-24-27-33-36/h8-9,11-12,33-34H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-
InChIKeyJBPAWNCPLILHDY-MURFETPASA-N
XLogP10.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 510.86
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal?
The IUPAC name of (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal (CID 146462909) is (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal.
What is the SMILES notation for (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal?
The canonical SMILES for (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCCN(C)C.
What is the InChIKey of (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal?
The InChIKey is JBPAWNCPLILHDY-MURFETPASA-N. The full InChI is InChI=1S/C34H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29-34(31-28-32-35(2)3)30-26-23-20-18-21-24-27-33-36/h8-9,11-12,33-34H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-.
What are the key properties of (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal?
(20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal has a molecular weight of 503.90 g/mol, XLogP of 10.86, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienal is sourced from PubChem (CID 146462909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).