2-(6-butylsulfanyl-3-pyridinyl)ethanamine

C11H18N2S — CID 80650800

IUPAC2-(6-butylsulfanyl-3-pyridinyl)ethanamine
SMILESCCCCSc1ccc(CCN)cn1
InChIInChI=1S/C11H18N2S/c1-2-3-8-14-11-5-4-10(6-7-12)9-13-11/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyHUVCFUHQGMACEF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.47
Rot. Bonds6

About 2-(6-butylsulfanyl-3-pyridinyl)ethanamine

2-(6-butylsulfanyl-3-pyridinyl)ethanamine (PubChem CID 80650800) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(6-butylsulfanyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(6-butylsulfanyl-3-pyridinyl)ethanamine
PubChem CID80650800
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(6-butylsulfanyl-3-pyridinyl)ethanamine
SMILESCCCCSc1ccc(CCN)cn1
InChIInChI=1S/C11H18N2S/c1-2-3-8-14-11-5-4-10(6-7-12)9-13-11/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyHUVCFUHQGMACEF-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-butylsulfanyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(6-butylsulfanyl-3-pyridinyl)ethanamine (CID 80650800) is 2-(6-butylsulfanyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(6-butylsulfanyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(6-butylsulfanyl-3-pyridinyl)ethanamine is CCCCSc1ccc(CCN)cn1.
What is the InChIKey of 2-(6-butylsulfanyl-3-pyridinyl)ethanamine?
The InChIKey is HUVCFUHQGMACEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-3-8-14-11-5-4-10(6-7-12)9-13-11/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 2-(6-butylsulfanyl-3-pyridinyl)ethanamine?
2-(6-butylsulfanyl-3-pyridinyl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butylsulfanyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 80650800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).