2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

C15H26N2S — CID 112666767

IUPAC2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccccc1CC(C)N
InChIInChI=1S/C15H26N2S/c1-5-14(11-18-4)17(3)15-9-7-6-8-13(15)10-12(2)16/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyQPSRXUBKLTYWJE-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (PubChem CID 112666767) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
PubChem CID112666767
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccccc1CC(C)N
InChIInChI=1S/C15H26N2S/c1-5-14(11-18-4)17(3)15-9-7-6-8-13(15)10-12(2)16/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyQPSRXUBKLTYWJE-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103959110
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
CID 113359068
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660564
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663509
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188
N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55236815
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The IUPAC name of 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (CID 112666767) is 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is CCC(CSC)N(C)c1ccccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The InChIKey is QPSRXUBKLTYWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-14(11-18-4)17(3)15-9-7-6-8-13(15)10-12(2)16/h6-9,12,14H,5,10-11,16H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline has a molecular weight of 266.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is sourced from PubChem (CID 112666767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).