5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C13H23N3S — CID 112665216

IUPAC5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCCNCc1ccc(N(C)CCSC)nc1C
InChIInChI=1S/C13H23N3S/c1-5-14-10-12-6-7-13(15-11(12)2)16(3)8-9-17-4/h6-7,14H,5,8-10H2,1-4H3
InChIKeyMJJHUQXZUWCILQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.30
Rot. Bonds7

About 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112665216) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112665216
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCCNCc1ccc(N(C)CCSC)nc1C
InChIInChI=1S/C13H23N3S/c1-5-14-10-12-6-7-13(15-11(12)2)16(3)8-9-17-4/h6-7,14H,5,8-10H2,1-4H3
InChIKeyMJJHUQXZUWCILQ-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665261
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 112666477
N-ethyl-N,6-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 79885093
N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
CID 115987730
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663600
2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 112665284
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663611
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)aniline
CID 112662299

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112665216) is 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CCNCc1ccc(N(C)CCSC)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is MJJHUQXZUWCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-14-10-12-6-7-13(15-11(12)2)16(3)8-9-17-4/h6-7,14H,5,8-10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112665216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).