5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine

C14H24N2S — CID 107756485

IUPAC5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCCCSCc1ccc(NCCC)nc1
InChIInChI=1S/C14H24N2S/c1-3-5-6-10-17-12-13-7-8-14(16-11-13)15-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,15,16)
InChIKeyPXHOQFMNIJSBPV-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.33
Rot. Bonds9

About 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine

5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 107756485) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID107756485
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCCCSCc1ccc(NCCC)nc1
InChIInChI=1S/C14H24N2S/c1-3-5-6-10-17-12-13-7-8-14(16-11-13)15-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,15,16)
InChIKeyPXHOQFMNIJSBPV-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(pentylsulfanylmethyl)pyridin-2-amine
CID 107756445
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62469459
N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
5-(aminomethyl)-N-pentylpyridin-2-amine
CID 95437328
N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 65041419
5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55044942
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63484975
1-tert-butyl-4-(octylsulfanylmethyl)benzene
CID 10803615
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134

Frequently Asked Questions

What is the IUPAC name of 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine (CID 107756485) is 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine is CCCCCSCc1ccc(NCCC)nc1.
What is the InChIKey of 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is PXHOQFMNIJSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-5-6-10-17-12-13-7-8-14(16-11-13)15-9-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,15,16).
What are the key properties of 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine?
5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 252.43 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 107756485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).