4,5-bis(dipropylamino)naphthalene-1-carbaldehyde

C23H34N2O — CID 87392151

IUPAC4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
SMILESCCCN(CCC)c1cccc2c(C=O)ccc(N(CCC)CCC)c12
InChIInChI=1S/C23H34N2O/c1-5-14-24(15-6-2)21-11-9-10-20-19(18-26)12-13-22(23(20)21)25(16-7-3)17-8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyMJUJVMCAUSQPDW-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.91
Rot. Bonds11

About 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde

4,5-bis(dipropylamino)naphthalene-1-carbaldehyde (PubChem CID 87392151) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
PubChem CID87392151
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
SMILESCCCN(CCC)c1cccc2c(C=O)ccc(N(CCC)CCC)c12
InChIInChI=1S/C23H34N2O/c1-5-14-24(15-6-2)21-11-9-10-20-19(18-26)12-13-22(23(20)21)25(16-7-3)17-8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyMJUJVMCAUSQPDW-UHFFFAOYSA-N
XLogP5.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde 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 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde?
The IUPAC name of 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde (CID 87392151) is 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde?
The canonical SMILES for 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde is CCCN(CCC)c1cccc2c(C=O)ccc(N(CCC)CCC)c12.
What is the InChIKey of 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde?
The InChIKey is MJUJVMCAUSQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-5-14-24(15-6-2)21-11-9-10-20-19(18-26)12-13-22(23(20)21)25(16-7-3)17-8-4/h9-13,18H,5-8,14-17H2,1-4H3.
What are the key properties of 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde?
4,5-bis(dipropylamino)naphthalene-1-carbaldehyde has a molecular weight of 354.54 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(dipropylamino)naphthalene-1-carbaldehyde is sourced from PubChem (CID 87392151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).