5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine

C10H17N3S — CID 112659934

IUPAC5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
SMILESCSCCN(C)Cc1ccc(N)nc1
InChIInChI=1S/C10H17N3S/c1-13(5-6-14-2)8-9-3-4-10(11)12-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,11,12)
InChIKeyMMASMGANMJWWLM-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.46
Rot. Bonds5

About 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine

5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine (PubChem CID 112659934) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
PubChem CID112659934
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
SMILESCSCCN(C)Cc1ccc(N)nc1
InChIInChI=1S/C10H17N3S/c1-13(5-6-14-2)8-9-3-4-10(11)12-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,11,12)
InChIKeyMMASMGANMJWWLM-UHFFFAOYSA-N
XLogP1.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine (CID 112659934) is 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine is CSCCN(C)Cc1ccc(N)nc1.
What is the InChIKey of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine?
The InChIKey is MMASMGANMJWWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13(5-6-14-2)8-9-3-4-10(11)12-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,11,12).
What are the key properties of 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine?
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 112659934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).