3-(2-tetradecyloctadecylamino)propanal

C35H71NO — CID 54068246

IUPAC3-(2-tetradecyloctadecylamino)propanal
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNCCC=O
InChIInChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-35(34-36-32-29-33-37)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,35-36H,3-32,34H2,1-2H3
InChIKeyMEOILFXNEYBDIY-UHFFFAOYSA-N
MW521.96 g/mol
LogP11.74
Rot. Bonds33

About 3-(2-tetradecyloctadecylamino)propanal

3-(2-tetradecyloctadecylamino)propanal (PubChem CID 54068246) has the molecular formula C35H71NO and a molecular weight of 521.96 g/mol. Its IUPAC name is 3-(2-tetradecyloctadecylamino)propanal.

Molecular Properties

Compound Name3-(2-tetradecyloctadecylamino)propanal
PubChem CID54068246
Molecular FormulaC35H71NO
Molecular Weight521.96 g/mol
Exact Mass521.55
IUPAC Name3-(2-tetradecyloctadecylamino)propanal
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNCCC=O
InChIInChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-35(34-36-32-29-33-37)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,35-36H,3-32,34H2,1-2H3
InChIKeyMEOILFXNEYBDIY-UHFFFAOYSA-N
XLogP11.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 511.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-tetradecyloctadecylamino)propanal 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

2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
N,2-dipropyloctan-1-amine
CID 63497286
N-(2-hexyldecyl)formamide
CID 54204817
4-oxo-N-(2-tetradecylhexadecyl)butanamide
CID 135292881
5-ethylundecanal
CID 54527856
7-propyldodecanal
CID 21439180
N-(5-heptyltridecyl)formamide
CID 166649045
N-ethyl-2-propylnonan-1-amine
CID 63498677
N-(4-butyldecyl)formamide
CID 166649158
3-nonyldodecanal
CID 142613821
N-hexyl-2-propylhex-5-en-1-amine
CID 139309941
(2R)-2-(butylaminomethyl)pentadecane-1-sulfonic acid
CID 121405439

Frequently Asked Questions

What is the IUPAC name of 3-(2-tetradecyloctadecylamino)propanal?
The IUPAC name of 3-(2-tetradecyloctadecylamino)propanal (CID 54068246) is 3-(2-tetradecyloctadecylamino)propanal.
What is the SMILES notation for 3-(2-tetradecyloctadecylamino)propanal?
The canonical SMILES for 3-(2-tetradecyloctadecylamino)propanal is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNCCC=O.
What is the InChIKey of 3-(2-tetradecyloctadecylamino)propanal?
The InChIKey is MEOILFXNEYBDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-35(34-36-32-29-33-37)30-27-25-23-21-19-16-14-12-10-8-6-4-2/h33,35-36H,3-32,34H2,1-2H3.
What are the key properties of 3-(2-tetradecyloctadecylamino)propanal?
3-(2-tetradecyloctadecylamino)propanal has a molecular weight of 521.96 g/mol, XLogP of 11.74, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tetradecyloctadecylamino)propanal is sourced from PubChem (CID 54068246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).