4-(2-aminopropyl)-N-butyl-N-ethylaniline

C15H26N2 — CID 63786093

IUPAC4-(2-aminopropyl)-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1ccc(CC(C)N)cc1
InChIInChI=1S/C15H26N2/c1-4-6-11-17(5-2)15-9-7-14(8-10-15)12-13(3)16/h7-10,13H,4-6,11-12,16H2,1-3H3
InChIKeyFNPGFZRYYIBHSK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.20
Rot. Bonds7

About 4-(2-aminopropyl)-N-butyl-N-ethylaniline

4-(2-aminopropyl)-N-butyl-N-ethylaniline (PubChem CID 63786093) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-butyl-N-ethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-butyl-N-ethylaniline
PubChem CID63786093
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(2-aminopropyl)-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1ccc(CC(C)N)cc1
InChIInChI=1S/C15H26N2/c1-4-6-11-17(5-2)15-9-7-14(8-10-15)12-13(3)16/h7-10,13H,4-6,11-12,16H2,1-3H3
InChIKeyFNPGFZRYYIBHSK-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-aminopropyl)-N-butyl-N-ethylaniline 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-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
2-amino-3-[4-(dibutylamino)phenyl]propanoic acid
CID 170879560
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
CID 63816141
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
CID 119495764
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-butyl-N-ethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-butyl-N-ethylaniline (CID 63786093) is 4-(2-aminopropyl)-N-butyl-N-ethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-butyl-N-ethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-butyl-N-ethylaniline is CCCCN(CC)c1ccc(CC(C)N)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-butyl-N-ethylaniline?
The InChIKey is FNPGFZRYYIBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-11-17(5-2)15-9-7-14(8-10-15)12-13(3)16/h7-10,13H,4-6,11-12,16H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-butyl-N-ethylaniline?
4-(2-aminopropyl)-N-butyl-N-ethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-butyl-N-ethylaniline is sourced from PubChem (CID 63786093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).