3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine

C13H22N2S — CID 107748540

IUPAC3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine
SMILESCCCCCSCc1ncc(C)c(N)c1C
InChIInChI=1S/C13H22N2S/c1-4-5-6-7-16-9-12-11(3)13(14)10(2)8-15-12/h8H,4-7,9H2,1-3H3,(H2,14,15)
InChIKeyRIHVTIWAAPOBNY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.70
Rot. Bonds6

About 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine

3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine (PubChem CID 107748540) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine
PubChem CID107748540
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine
SMILESCCCCCSCc1ncc(C)c(N)c1C
InChIInChI=1S/C13H22N2S/c1-4-5-6-7-16-9-12-11(3)13(14)10(2)8-15-12/h8H,4-7,9H2,1-3H3,(H2,14,15)
InChIKeyRIHVTIWAAPOBNY-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.70
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

2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
CID 103183383
2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
CID 103183368
5-(pentylsulfanylmethyl)pyrazin-2-amine
CID 107756456
3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
CID 103183329
3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]pyridin-4-amine
CID 103181940
5-(butylsulfanylmethyl)pyrazin-2-amine
CID 103059925
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 103183417
2-[[methoxy(methyl)amino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182114
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-propylimidazol-2-one
CID 103182917
3,5-dimethyl-2-(2-methylpropoxymethyl)pyridin-4-amine
CID 103183038
3,5-dimethyl-2-(4-methylpentoxymethyl)pyridin-4-amine
CID 103183115
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 103182316

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine (CID 107748540) is 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine is CCCCCSCc1ncc(C)c(N)c1C.
What is the InChIKey of 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine?
The InChIKey is RIHVTIWAAPOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-5-6-7-16-9-12-11(3)13(14)10(2)8-15-12/h8H,4-7,9H2,1-3H3,(H2,14,15).
What are the key properties of 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine?
3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(pentylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 107748540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).