3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine

C11H19N3S — CID 65128801

IUPAC3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
SMILESCCCSCC(NC)c1cccnc1N
InChIInChI=1S/C11H19N3S/c1-3-7-15-8-10(13-2)9-5-4-6-14-11(9)12/h4-6,10,13H,3,7-8H2,1-2H3,(H2,12,14)
InChIKeyOAFQKJXPERPYDW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.07
Rot. Bonds6

About 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine

3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine (PubChem CID 65128801) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
PubChem CID65128801
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
SMILESCCCSCC(NC)c1cccnc1N
InChIInChI=1S/C11H19N3S/c1-3-7-15-8-10(13-2)9-5-4-6-14-11(9)12/h4-6,10,13H,3,7-8H2,1-2H3,(H2,12,14)
InChIKeyOAFQKJXPERPYDW-UHFFFAOYSA-N
XLogP2.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630
3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 106815072
3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
CID 79954451
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
CID 104738272
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
1-(2,6-difluorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129194
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
CID 107762989
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine?
The IUPAC name of 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine (CID 65128801) is 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine is CCCSCC(NC)c1cccnc1N.
What is the InChIKey of 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine?
The InChIKey is OAFQKJXPERPYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-7-15-8-10(13-2)9-5-4-6-14-11(9)12/h4-6,10,13H,3,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine?
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine is sourced from PubChem (CID 65128801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).