N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine

C20H30N2S — CID 161260709

IUPACN-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H30N2S/c1-2-3-4-5-6-7-8-10-15-21-17-18-13-14-20(23-18)19-12-9-11-16-22-19/h9,11-14,16,21H,2-8,10,15,17H2,1H3
InChIKeyZAAFLDXQKWJSPZ-UHFFFAOYSA-N
MW330.54 g/mol
LogP6.04
Rot. Bonds12

About N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine

N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine (PubChem CID 161260709) has the molecular formula C20H30N2S and a molecular weight of 330.54 g/mol. Its IUPAC name is N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine
PubChem CID161260709
Molecular FormulaC20H30N2S
Molecular Weight330.54 g/mol
Exact Mass330.21
IUPAC NameN-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H30N2S/c1-2-3-4-5-6-7-8-10-15-21-17-18-13-14-20(23-18)19-12-9-11-16-22-19/h9,11-14,16,21H,2-8,10,15,17H2,1H3
InChIKeyZAAFLDXQKWJSPZ-UHFFFAOYSA-N
XLogP6.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 56.04
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 N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine?
The IUPAC name of N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine (CID 161260709) is N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine.
What is the SMILES notation for N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine?
The canonical SMILES for N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine is CCCCCCCCCCNCc1ccc(-c2ccccn2)s1.
What is the InChIKey of N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine?
The InChIKey is ZAAFLDXQKWJSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2S/c1-2-3-4-5-6-7-8-10-15-21-17-18-13-14-20(23-18)19-12-9-11-16-22-19/h9,11-14,16,21H,2-8,10,15,17H2,1H3.
What are the key properties of N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine?
N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine has a molecular weight of 330.54 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine is sourced from PubChem (CID 161260709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).