2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine

C14H24N2OS — CID 114057330

IUPAC2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine
SMILESCCCCCSc1ncccc1CNCCOC
InChIInChI=1S/C14H24N2OS/c1-3-4-5-11-18-14-13(7-6-8-16-14)12-15-9-10-17-2/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeyXHXQYRMIJBWITH-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.10
Rot. Bonds10

About 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine

2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine (PubChem CID 114057330) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine
PubChem CID114057330
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine
SMILESCCCCCSc1ncccc1CNCCOC
InChIInChI=1S/C14H24N2OS/c1-3-4-5-11-18-14-13(7-6-8-16-14)12-15-9-10-17-2/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeyXHXQYRMIJBWITH-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine (CID 114057330) is 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine is CCCCCSc1ncccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is XHXQYRMIJBWITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-4-5-11-18-14-13(7-6-8-16-14)12-15-9-10-17-2/h6-8,15H,3-5,9-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine?
2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-pentylsulfanyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114057330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).