2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

C11H19N3S — CID 80651106

IUPAC2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCc1cc(CN)cnc1SCCN(C)C
InChIInChI=1S/C11H19N3S/c1-9-6-10(7-12)8-13-11(9)15-5-4-14(2)3/h6,8H,4-5,7,12H2,1-3H3
InChIKeyMYBBAMZXQZKPQT-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.50
Rot. Bonds5

About 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (PubChem CID 80651106) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
PubChem CID80651106
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCc1cc(CN)cnc1SCCN(C)C
InChIInChI=1S/C11H19N3S/c1-9-6-10(7-12)8-13-11(9)15-5-4-14(2)3/h6,8H,4-5,7,12H2,1-3H3
InChIKeyMYBBAMZXQZKPQT-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (CID 80651106) is 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is Cc1cc(CN)cnc1SCCN(C)C.
What is the InChIKey of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The InChIKey is MYBBAMZXQZKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-6-10(7-12)8-13-11(9)15-5-4-14(2)3/h6,8H,4-5,7,12H2,1-3H3.
What are the key properties of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 80651106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).