9-[2-(diethylamino)ethyl]heptadecanedial

C23H45NO2 — CID 144641640

IUPAC9-[2-(diethylamino)ethyl]heptadecanedial
SMILESCCN(CC)CCC(CCCCCCCC=O)CCCCCCCC=O
InChIInChI=1S/C23H45NO2/c1-3-24(4-2)20-19-23(17-13-9-5-7-11-15-21-25)18-14-10-6-8-12-16-22-26/h21-23H,3-20H2,1-2H3
InChIKeyXUZANURQZKMDSF-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.19
Rot. Bonds21

About 9-[2-(diethylamino)ethyl]heptadecanedial

9-[2-(diethylamino)ethyl]heptadecanedial (PubChem CID 144641640) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 9-[2-(diethylamino)ethyl]heptadecanedial.

Molecular Properties

Compound Name9-[2-(diethylamino)ethyl]heptadecanedial
PubChem CID144641640
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Name9-[2-(diethylamino)ethyl]heptadecanedial
SMILESCCN(CC)CCC(CCCCCCCC=O)CCCCCCCC=O
InChIInChI=1S/C23H45NO2/c1-3-24(4-2)20-19-23(17-13-9-5-7-11-15-21-25)18-14-10-6-8-12-16-22-26/h21-23H,3-20H2,1-2H3
InChIKeyXUZANURQZKMDSF-UHFFFAOYSA-N
XLogP6.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(diethylamino)ethyl]heptadecanedial?
The IUPAC name of 9-[2-(diethylamino)ethyl]heptadecanedial (CID 144641640) is 9-[2-(diethylamino)ethyl]heptadecanedial.
What is the SMILES notation for 9-[2-(diethylamino)ethyl]heptadecanedial?
The canonical SMILES for 9-[2-(diethylamino)ethyl]heptadecanedial is CCN(CC)CCC(CCCCCCCC=O)CCCCCCCC=O.
What is the InChIKey of 9-[2-(diethylamino)ethyl]heptadecanedial?
The InChIKey is XUZANURQZKMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-3-24(4-2)20-19-23(17-13-9-5-7-11-15-21-25)18-14-10-6-8-12-16-22-26/h21-23H,3-20H2,1-2H3.
What are the key properties of 9-[2-(diethylamino)ethyl]heptadecanedial?
9-[2-(diethylamino)ethyl]heptadecanedial has a molecular weight of 367.62 g/mol, XLogP of 6.19, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(diethylamino)ethyl]heptadecanedial is sourced from PubChem (CID 144641640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).