2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine

C14H24N2S — CID 80639485

IUPAC2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SCC(C)C)nc1
InChIInChI=1S/C14H24N2S/c1-11(2)7-15-8-13-5-6-14(16-9-13)17-10-12(3)4/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyOOYJFZUGNQXDKW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.58
Rot. Bonds7

About 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80639485) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID80639485
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SCC(C)C)nc1
InChIInChI=1S/C14H24N2S/c1-11(2)7-15-8-13-5-6-14(16-9-13)17-10-12(3)4/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyOOYJFZUGNQXDKW-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80639399
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150
2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80640378
2-methyl-3-[[5-(propylaminomethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651178
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
3-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 80650754
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol
CID 113317893
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine (CID 80639485) is 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1ccc(SCC(C)C)nc1.
What is the InChIKey of 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is OOYJFZUGNQXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(2)7-15-8-13-5-6-14(16-9-13)17-10-12(3)4/h5-6,9,11-12,15H,7-8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80639485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).