4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline

C21H29N3 — CID 89258553

IUPAC4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline
SMILESCCCCN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H29N3/c1-6-7-16-22-21(17-8-12-19(13-9-17)23(2)3)18-10-14-20(15-11-18)24(4)5/h8-15H,6-7,16H2,1-5H3
InChIKeyWAHQJDASFZHDJP-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.46
Rot. Bonds7

About 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline

4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline (PubChem CID 89258553) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline
PubChem CID89258553
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline
SMILESCCCCN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H29N3/c1-6-7-16-22-21(17-8-12-19(13-9-17)23(2)3)18-10-14-20(15-11-18)24(4)5/h8-15H,6-7,16H2,1-5H3
InChIKeyWAHQJDASFZHDJP-UHFFFAOYSA-N
XLogP4.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline 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

4-(dimethylamino)-N-pentylbenzamide
CID 21064504
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
CID 2196857
nitrous acid;octyl 4-(dimethylamino)benzoate
CID 174402955
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
4-heptyl-N,N-dimethylaniline
CID 20777180
octanoyl 4-(dimethylamino)benzoate
CID 57468337
4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline
CID 171661574
N-[[4-(dimethylamino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine;ethane
CID 91230650

Frequently Asked Questions

What is the IUPAC name of 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline?
The IUPAC name of 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline (CID 89258553) is 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline is CCCCN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline?
The InChIKey is WAHQJDASFZHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-6-7-16-22-21(17-8-12-19(13-9-17)23(2)3)18-10-14-20(15-11-18)24(4)5/h8-15H,6-7,16H2,1-5H3.
What are the key properties of 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline?
4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline has a molecular weight of 323.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline is sourced from PubChem (CID 89258553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).