3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

C13H23N3S — CID 112657243

IUPAC3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1nc(C)ccc1CN
InChIInChI=1S/C13H23N3S/c1-5-12(9-17-4)16(3)13-11(8-14)7-6-10(2)15-13/h6-7,12H,5,8-9,14H2,1-4H3
InChIKeyCBZASGSBTLDZIM-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.43
Rot. Bonds6

About 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 112657243) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID112657243
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1nc(C)ccc1CN
InChIInChI=1S/C13H23N3S/c1-5-12(9-17-4)16(3)13-11(8-14)7-6-10(2)15-13/h6-7,12H,5,8-9,14H2,1-4H3
InChIKeyCBZASGSBTLDZIM-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 112657243) is 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is CCC(CSC)N(C)c1nc(C)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is CBZASGSBTLDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-12(9-17-4)16(3)13-11(8-14)7-6-10(2)15-13/h6-7,12H,5,8-9,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 112657243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).