6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine

C13H22N2S — CID 107765885

IUPAC6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(SCCC(C)C)n1
InChIInChI=1S/C13H22N2S/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyLBURSYZIYNPWBE-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.04
Rot. Bonds7

About 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine

6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine (PubChem CID 107765885) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
PubChem CID107765885
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(SCCC(C)C)n1
InChIInChI=1S/C13H22N2S/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyLBURSYZIYNPWBE-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine (CID 107765885) is 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine is CCCNc1cccc(SCCC(C)C)n1.
What is the InChIKey of 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine?
The InChIKey is LBURSYZIYNPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15).
What are the key properties of 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine?
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 107765885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).