3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine

C10H16N2S — CID 28671888

IUPAC3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCSCCCNCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-13-7-3-6-12-9-10-4-2-5-11-8-10/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyIVEHNZIMRFFXDB-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.92
Rot. Bonds6

About 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine

3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 28671888) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID28671888
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCSCCCNCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-13-7-3-6-12-9-10-4-2-5-11-8-10/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyIVEHNZIMRFFXDB-UHFFFAOYSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.92
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-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 28671888) is 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine is CSCCCNCc1cccnc1.
What is the InChIKey of 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is IVEHNZIMRFFXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-13-7-3-6-12-9-10-4-2-5-11-8-10/h2,4-5,8,12H,3,6-7,9H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine?
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 28671888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).