5-(didecylamino)pentanal

C25H51NO — CID 162037939

IUPAC5-(didecylamino)pentanal
SMILESCCCCCCCCCCN(CCCCC=O)CCCCCCCCCC
InChIInChI=1S/C25H51NO/c1-3-5-7-9-11-13-15-18-22-26(24-20-17-21-25-27)23-19-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyYWWXDSGIFSZSFB-UHFFFAOYSA-N
MW381.69 g/mol
LogP7.94
Rot. Bonds23

About 5-(didecylamino)pentanal

5-(didecylamino)pentanal (PubChem CID 162037939) has the molecular formula C25H51NO and a molecular weight of 381.69 g/mol. Its IUPAC name is 5-(didecylamino)pentanal.

Molecular Properties

Compound Name5-(didecylamino)pentanal
PubChem CID162037939
Molecular FormulaC25H51NO
Molecular Weight381.69 g/mol
Exact Mass381.40
IUPAC Name5-(didecylamino)pentanal
SMILESCCCCCCCCCCN(CCCCC=O)CCCCCCCCCC
InChIInChI=1S/C25H51NO/c1-3-5-7-9-11-13-15-18-22-26(24-20-17-21-25-27)23-19-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyYWWXDSGIFSZSFB-UHFFFAOYSA-N
XLogP7.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 57.94
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'}

Analyze 5-(didecylamino)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

9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
N,N-dimethylmethanamine;ethane;octanal
CID 154679924
decanal;decane
CID 157361056
acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane
CID 168924423
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
ruthenium;tridecanal
CID 175429355
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
butanal;N,N-dibutylbutan-1-amine
CID 174791584
calcium;hydride;octanal
CID 173446851

Frequently Asked Questions

What is the IUPAC name of 5-(didecylamino)pentanal?
The IUPAC name of 5-(didecylamino)pentanal (CID 162037939) is 5-(didecylamino)pentanal.
What is the SMILES notation for 5-(didecylamino)pentanal?
The canonical SMILES for 5-(didecylamino)pentanal is CCCCCCCCCCN(CCCCC=O)CCCCCCCCCC.
What is the InChIKey of 5-(didecylamino)pentanal?
The InChIKey is YWWXDSGIFSZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO/c1-3-5-7-9-11-13-15-18-22-26(24-20-17-21-25-27)23-19-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3.
What are the key properties of 5-(didecylamino)pentanal?
5-(didecylamino)pentanal has a molecular weight of 381.69 g/mol, XLogP of 7.94, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(didecylamino)pentanal is sourced from PubChem (CID 162037939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).