2-(2-aminobutyl)-N-butyl-N-ethylaniline

C16H28N2 — CID 63785761

IUPAC2-(2-aminobutyl)-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1ccccc1CC(N)CC
InChIInChI=1S/C16H28N2/c1-4-7-12-18(6-3)16-11-9-8-10-14(16)13-15(17)5-2/h8-11,15H,4-7,12-13,17H2,1-3H3
InChIKeyRPRIHRZWSIVVSV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-aminobutyl)-N-butyl-N-ethylaniline

2-(2-aminobutyl)-N-butyl-N-ethylaniline (PubChem CID 63785761) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-butyl-N-ethylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-butyl-N-ethylaniline
PubChem CID63785761
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(2-aminobutyl)-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1ccccc1CC(N)CC
InChIInChI=1S/C16H28N2/c1-4-7-12-18(6-3)16-11-9-8-10-14(16)13-15(17)5-2/h8-11,15H,4-7,12-13,17H2,1-3H3
InChIKeyRPRIHRZWSIVVSV-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 63786416
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
3-(2-aminobutyl)-N-butyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 63786258
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
N'-[2-(2-aminobutyl)-3-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998247
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-butyl-N-ethylaniline?
The IUPAC name of 2-(2-aminobutyl)-N-butyl-N-ethylaniline (CID 63785761) is 2-(2-aminobutyl)-N-butyl-N-ethylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-butyl-N-ethylaniline?
The canonical SMILES for 2-(2-aminobutyl)-N-butyl-N-ethylaniline is CCCCN(CC)c1ccccc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-N-butyl-N-ethylaniline?
The InChIKey is RPRIHRZWSIVVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-7-12-18(6-3)16-11-9-8-10-14(16)13-15(17)5-2/h8-11,15H,4-7,12-13,17H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-N-butyl-N-ethylaniline?
2-(2-aminobutyl)-N-butyl-N-ethylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-butyl-N-ethylaniline is sourced from PubChem (CID 63785761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).