5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C10H16ClN3S — CID 112665201

IUPAC5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyXGGCKBDTIGHZPB-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.99
Rot. Bonds5

About 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112665201) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112665201
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyXGGCKBDTIGHZPB-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837907
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 107084972
5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62286857
5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 62285526
3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine
CID 112663084
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112663042
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112665201) is 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1ncc(CN)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is XGGCKBDTIGHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 245.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112665201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).