N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine

C12H21N3S — CID 112657642

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1cccnc1
InChIInChI=1S/C12H21N3S/c1-10(9-16-3)15(2)12(7-13)11-5-4-6-14-8-11/h4-6,8,10,12H,7,9,13H2,1-3H3
InChIKeyGFYSZSAWTCTNOS-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds6

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine

N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 112657642) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID112657642
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1cccnc1
InChIInChI=1S/C12H21N3S/c1-10(9-16-3)15(2)12(7-13)11-5-4-6-14-8-11/h4-6,8,10,12H,7,9,13H2,1-3H3
InChIKeyGFYSZSAWTCTNOS-UHFFFAOYSA-N
XLogP1.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658587
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 115985746
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine (CID 112657642) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine is CSCC(C)N(C)C(CN)c1cccnc1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is GFYSZSAWTCTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(9-16-3)15(2)12(7-13)11-5-4-6-14-8-11/h4-6,8,10,12H,7,9,13H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 112657642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).