2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine

C13H22N2S — CID 79259514

IUPAC2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSC(C)(C)C)c1
InChIInChI=1S/C13H22N2S/c1-5-7-14-11-6-8-15-12(9-11)10-16-13(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,14,15)
InChIKeyCMVLWQBSMRYZEE-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.94
Rot. Bonds5

About 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine

2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine (PubChem CID 79259514) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
PubChem CID79259514
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSC(C)(C)C)c1
InChIInChI=1S/C13H22N2S/c1-5-7-14-11-6-8-15-12(9-11)10-16-13(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,14,15)
InChIKeyCMVLWQBSMRYZEE-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(propylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79260360
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259982
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259420
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-(tert-butylsulfanylmethyl)-4-chloropyridine
CID 79244586
2-methyl-N-propylpyridin-4-amine
CID 79240818
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
N-(2,2-difluoropropyl)-2-ethylpyridin-4-amine
CID 164654537
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine (CID 79259514) is 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine is CCCNc1ccnc(CSC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine?
The InChIKey is CMVLWQBSMRYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-7-14-11-6-8-15-12(9-11)10-16-13(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,14,15).
What are the key properties of 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine?
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 79259514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).