N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

C13H23N3S — CID 112660607

IUPACN-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)C(C)CSC)cn1
InChIInChI=1S/C13H23N3S/c1-10(9-17-5)16(4)12-6-7-13(15-8-12)11(2)14-3/h6-8,10-11,14H,9H2,1-5H3
InChIKeyYPVVCMJXLHKQKT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (PubChem CID 112660607) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
PubChem CID112660607
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)C(C)CSC)cn1
InChIInChI=1S/C13H23N3S/c1-10(9-17-5)16(4)12-6-7-13(15-8-12)11(2)14-3/h6-8,10-11,14H,9H2,1-5H3
InChIKeyYPVVCMJXLHKQKT-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The IUPAC name of N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (CID 112660607) is N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is CNC(C)c1ccc(N(C)C(C)CSC)cn1.
What is the InChIKey of N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The InChIKey is YPVVCMJXLHKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(9-17-5)16(4)12-6-7-13(15-8-12)11(2)14-3/h6-8,10-11,14H,9H2,1-5H3.
What are the key properties of N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 112660607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).