4-(2-aminobutyl)-N-ethyl-N-propylaniline

C15H26N2 — CID 55237765

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

About 4-(2-aminobutyl)-N-ethyl-N-propylaniline

4-(2-aminobutyl)-N-ethyl-N-propylaniline (PubChem CID 55237765) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-ethyl-N-propylaniline
PubChem CID55237765
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(2-aminobutyl)-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CC(N)CC)cc1
InChIInChI=1S/C15H26N2/c1-4-11-17(6-3)15-9-7-13(8-10-15)12-14(16)5-2/h7-10,14H,4-6,11-12,16H2,1-3H3
InChIKeyIBRDWIXQWJSAQP-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'}

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Related Compounds

4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236806
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
CID 63816392
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
4-(2-aminobutyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112666727

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-propylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-propylaniline (CID 55237765) is 4-(2-aminobutyl)-N-ethyl-N-propylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-ethyl-N-propylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-ethyl-N-propylaniline is CCCN(CC)c1ccc(CC(N)CC)cc1.
What is the InChIKey of 4-(2-aminobutyl)-N-ethyl-N-propylaniline?
The InChIKey is IBRDWIXQWJSAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11-17(6-3)15-9-7-13(8-10-15)12-14(16)5-2/h7-10,14H,4-6,11-12,16H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-ethyl-N-propylaniline?
4-(2-aminobutyl)-N-ethyl-N-propylaniline 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-aminobutyl)-N-ethyl-N-propylaniline is sourced from PubChem (CID 55237765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).