3-(4-aminobutyl)-N,N-diethylaniline

C14H24N2 — CID 117314931

IUPAC3-(4-aminobutyl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(CCCCN)c1
InChIInChI=1S/C14H24N2/c1-3-16(4-2)14-10-7-9-13(12-14)8-5-6-11-15/h7,9-10,12H,3-6,8,11,15H2,1-2H3
InChIKeyLFDYFBYCMISJAR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.81
Rot. Bonds7

About 3-(4-aminobutyl)-N,N-diethylaniline

3-(4-aminobutyl)-N,N-diethylaniline (PubChem CID 117314931) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(4-aminobutyl)-N,N-diethylaniline.

Molecular Properties

Compound Name3-(4-aminobutyl)-N,N-diethylaniline
PubChem CID117314931
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(4-aminobutyl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(CCCCN)c1
InChIInChI=1S/C14H24N2/c1-3-16(4-2)14-10-7-9-13(12-14)8-5-6-11-15/h7,9-10,12H,3-6,8,11,15H2,1-2H3
InChIKeyLFDYFBYCMISJAR-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-aminobutyl)-N,N-diethylaniline 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

3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
N,N-diethyl-3-[2-(methylamino)ethyl]aniline
CID 96768537
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-N,N-diethylaniline?
The IUPAC name of 3-(4-aminobutyl)-N,N-diethylaniline (CID 117314931) is 3-(4-aminobutyl)-N,N-diethylaniline.
What is the SMILES notation for 3-(4-aminobutyl)-N,N-diethylaniline?
The canonical SMILES for 3-(4-aminobutyl)-N,N-diethylaniline is CCN(CC)c1cccc(CCCCN)c1.
What is the InChIKey of 3-(4-aminobutyl)-N,N-diethylaniline?
The InChIKey is LFDYFBYCMISJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(4-2)14-10-7-9-13(12-14)8-5-6-11-15/h7,9-10,12H,3-6,8,11,15H2,1-2H3.
What are the key properties of 3-(4-aminobutyl)-N,N-diethylaniline?
3-(4-aminobutyl)-N,N-diethylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-N,N-diethylaniline is sourced from PubChem (CID 117314931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).