5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine

C10H15Cl2NS — CID 65305952

IUPAC5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NS/c1-13-6-4-2-3-5-8-7-9(11)14-10(8)12/h7,13H,2-6H2,1H3
InChIKeyFEMVRBBXBDKKAH-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.99
Rot. Bonds6

About 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine

5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine (PubChem CID 65305952) has the molecular formula C10H15Cl2NS and a molecular weight of 252.21 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
PubChem CID65305952
Molecular FormulaC10H15Cl2NS
Molecular Weight252.21 g/mol
Exact Mass251.03
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NS/c1-13-6-4-2-3-5-8-7-9(11)14-10(8)12/h7,13H,2-6H2,1H3
InChIKeyFEMVRBBXBDKKAH-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine (CID 65305952) is 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine is CNCCCCCc1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine?
The InChIKey is FEMVRBBXBDKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NS/c1-13-6-4-2-3-5-8-7-9(11)14-10(8)12/h7,13H,2-6H2,1H3.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine?
5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine has a molecular weight of 252.21 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 65305952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).