2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

C15H26N2S — CID 103959110

IUPAC2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccccc1[C@@H](N)CC
InChIInChI=1S/C15H26N2S/c1-5-12(11-18-4)17(3)15-10-8-7-9-13(15)14(16)6-2/h7-10,12,14H,5-6,11,16H2,1-4H3/t12?,14-/m0/s1
InChIKeyVPEUNMQQWDTMLF-PYMCNQPYSA-N
MW266.45 g/mol
LogP3.67
Rot. Bonds7

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

2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (PubChem CID 103959110) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
PubChem CID103959110
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccccc1[C@@H](N)CC
InChIInChI=1S/C15H26N2S/c1-5-12(11-18-4)17(3)15-10-8-7-9-13(15)14(16)6-2/h7-10,12,14H,5-6,11,16H2,1-4H3/t12?,14-/m0/s1
InChIKeyVPEUNMQQWDTMLF-PYMCNQPYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
CID 113359068
2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112666767
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660564
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663509
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (CID 103959110) is 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is CCC(CSC)N(C)c1ccccc1[C@@H](N)CC.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The InChIKey is VPEUNMQQWDTMLF-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-12(11-18-4)17(3)15-10-8-7-9-13(15)14(16)6-2/h7-10,12,14H,5-6,11,16H2,1-4H3/t12?,14-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline has a molecular weight of 266.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is sourced from PubChem (CID 103959110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).