3-[ethyl(octadecan-3-yl)amino]propanal

C23H47NO — CID 173125215

IUPAC3-[ethyl(octadecan-3-yl)amino]propanal
SMILESCCCCCCCCCCCCCCCC(CC)N(CC)CCC=O
InChIInChI=1S/C23H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-23(5-2)24(6-3)21-19-22-25/h22-23H,4-21H2,1-3H3
InChIKeyVXFSDSBQZCLNNC-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.16
Rot. Bonds20

About 3-[ethyl(octadecan-3-yl)amino]propanal

3-[ethyl(octadecan-3-yl)amino]propanal (PubChem CID 173125215) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 3-[ethyl(octadecan-3-yl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(octadecan-3-yl)amino]propanal
PubChem CID173125215
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name3-[ethyl(octadecan-3-yl)amino]propanal
SMILESCCCCCCCCCCCCCCCC(CC)N(CC)CCC=O
InChIInChI=1S/C23H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-23(5-2)24(6-3)21-19-22-25/h22-23H,4-21H2,1-3H3
InChIKeyVXFSDSBQZCLNNC-UHFFFAOYSA-N
XLogP7.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.16
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'}

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Related Compounds

3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
N,N-diethyltridecan-4-amine
CID 159822270
5-ethylundecanal
CID 54527856
2-undecylpentadecanedial
CID 91207185
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
2-methyldecanal;undecanal
CID 159845344
2-methylundecanal;tetradecanal
CID 87951053
4-aminopentadecanal
CID 91108576
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
5,9-dimethylhexadecanal
CID 123900450
N-methyl-N-pentadecan-6-ylformamide
CID 89274387

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(octadecan-3-yl)amino]propanal?
The IUPAC name of 3-[ethyl(octadecan-3-yl)amino]propanal (CID 173125215) is 3-[ethyl(octadecan-3-yl)amino]propanal.
What is the SMILES notation for 3-[ethyl(octadecan-3-yl)amino]propanal?
The canonical SMILES for 3-[ethyl(octadecan-3-yl)amino]propanal is CCCCCCCCCCCCCCCC(CC)N(CC)CCC=O.
What is the InChIKey of 3-[ethyl(octadecan-3-yl)amino]propanal?
The InChIKey is VXFSDSBQZCLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-23(5-2)24(6-3)21-19-22-25/h22-23H,4-21H2,1-3H3.
What are the key properties of 3-[ethyl(octadecan-3-yl)amino]propanal?
3-[ethyl(octadecan-3-yl)amino]propanal has a molecular weight of 353.64 g/mol, XLogP of 7.16, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(octadecan-3-yl)amino]propanal is sourced from PubChem (CID 173125215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).