2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine

C13H22N2S — CID 115898744

IUPAC2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
SMILESCSC(C)CNC(c1cccnc1)C(C)C
InChIInChI=1S/C13H22N2S/c1-10(2)13(15-8-11(3)16-4)12-6-5-7-14-9-12/h5-7,9-11,13,15H,8H2,1-4H3
InChIKeyDPEODVWCDGAQPL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.12
Rot. Bonds6

About 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine

2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine (PubChem CID 115898744) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
PubChem CID115898744
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
SMILESCSC(C)CNC(c1cccnc1)C(C)C
InChIInChI=1S/C13H22N2S/c1-10(2)13(15-8-11(3)16-4)12-6-5-7-14-9-12/h5-7,9-11,13,15H,8H2,1-4H3
InChIKeyDPEODVWCDGAQPL-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 115898770
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
(1R)-N-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 144904680
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
CID 115876396
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine (CID 115898744) is 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine is CSC(C)CNC(c1cccnc1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine?
The InChIKey is DPEODVWCDGAQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)13(15-8-11(3)16-4)12-6-5-7-14-9-12/h5-7,9-11,13,15H,8H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine?
2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115898744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).