4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline

C20H25N3 — CID 3484514

IUPAC4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2[nH]c3ccccc3c2CCCCN)cc1
InChIInChI=1S/C20H25N3/c1-23(2)16-12-10-15(11-13-16)20-18(8-5-6-14-21)17-7-3-4-9-19(17)22-20/h3-4,7,9-13,22H,5-6,8,14,21H2,1-2H3
InChIKeyZMWIWRRWWNBQDJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.18
Rot. Bonds6

About 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline

4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline (PubChem CID 3484514) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
PubChem CID3484514
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2[nH]c3ccccc3c2CCCCN)cc1
InChIInChI=1S/C20H25N3/c1-23(2)16-12-10-15(11-13-16)20-18(8-5-6-14-21)17-7-3-4-9-19(17)22-20/h3-4,7,9-13,22H,5-6,8,14,21H2,1-2H3
InChIKeyZMWIWRRWWNBQDJ-UHFFFAOYSA-N
XLogP4.18
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-aminobutyl)-1H-indol-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline (CID 3484514) is 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2[nH]c3ccccc3c2CCCCN)cc1.
What is the InChIKey of 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline?
The InChIKey is ZMWIWRRWWNBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-23(2)16-12-10-15(11-13-16)20-18(8-5-6-14-21)17-7-3-4-9-19(17)22-20/h3-4,7,9-13,22H,5-6,8,14,21H2,1-2H3.
What are the key properties of 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline?
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline has a molecular weight of 307.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3484514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).