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

C14H24N2S — CID 143515436

IUPAC2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCSCCN(Cc1ccc(C)nc1)CC(C)C
InChIInChI=1S/C14H24N2S/c1-12(2)10-16(7-8-17-4)11-14-6-5-13(3)15-9-14/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyWGUYZELIRAWSPX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.21
Rot. Bonds7

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

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine (PubChem CID 143515436) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine
PubChem CID143515436
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCSCCN(Cc1ccc(C)nc1)CC(C)C
InChIInChI=1S/C14H24N2S/c1-12(2)10-16(7-8-17-4)11-14-6-5-13(3)15-9-14/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyWGUYZELIRAWSPX-UHFFFAOYSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine (CID 143515436) is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine is CSCCN(Cc1ccc(C)nc1)CC(C)C.
What is the InChIKey of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine?
The InChIKey is WGUYZELIRAWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(2)10-16(7-8-17-4)11-14-6-5-13(3)15-9-14/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine?
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 143515436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).