4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine

C12H21N3S — CID 65129317

IUPAC4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
SMILESCCCSCC(Cc1ccnc(N)c1)NC
InChIInChI=1S/C12H21N3S/c1-3-6-16-9-11(14-2)7-10-4-5-15-12(13)8-10/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H2,13,15)
InChIKeyDBGMIGITAXSEMW-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.94
Rot. Bonds7

About 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine

4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine (PubChem CID 65129317) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
PubChem CID65129317
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
SMILESCCCSCC(Cc1ccnc(N)c1)NC
InChIInChI=1S/C12H21N3S/c1-3-6-16-9-11(14-2)7-10-4-5-15-12(13)8-10/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H2,13,15)
InChIKeyDBGMIGITAXSEMW-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.94
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

4-[3-(2-fluorophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66051154
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
4-[3-methoxy-2-(methylamino)hexyl]pyridin-2-amine
CID 116718992
4-(3-ethoxy-2-hydrazinylpropyl)pyridin-2-amine
CID 105235296
ethane;4-ethylpyridin-2-amine
CID 144736585
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66055710
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine?
The IUPAC name of 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine (CID 65129317) is 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine is CCCSCC(Cc1ccnc(N)c1)NC.
What is the InChIKey of 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine?
The InChIKey is DBGMIGITAXSEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-6-16-9-11(14-2)7-10-4-5-15-12(13)8-10/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H2,13,15).
What are the key properties of 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine?
4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine is sourced from PubChem (CID 65129317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).