5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C11H17BrN2S — CID 107084972

IUPAC5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CBr)cc1C
InChIInChI=1S/C11H17BrN2S/c1-9-6-10(7-12)8-13-11(9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyOIIODJVYBXWTTD-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.08
Rot. Bonds5

About 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 107084972) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID107084972
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CBr)cc1C
InChIInChI=1S/C11H17BrN2S/c1-9-6-10(7-12)8-13-11(9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyOIIODJVYBXWTTD-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107080687
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665201
5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107084894
N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80634571
5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80628542

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 107084972) is 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1ncc(CBr)cc1C.
What is the InChIKey of 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is OIIODJVYBXWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-9-6-10(7-12)8-13-11(9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 107084972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).