N-ethyl-2-propylthiophen-3-amine

C9H15NS — CID 10844862

IUPACN-ethyl-2-propylthiophen-3-amine
SMILESCCCc1sccc1NCC
InChIInChI=1S/C9H15NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyVJPJLSHQWGCSRM-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-2-propylthiophen-3-amine

N-ethyl-2-propylthiophen-3-amine (PubChem CID 10844862) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-ethyl-2-propylthiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-2-propylthiophen-3-amine
PubChem CID10844862
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-ethyl-2-propylthiophen-3-amine
SMILESCCCc1sccc1NCC
InChIInChI=1S/C9H15NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-7,10H,3-5H2,1-2H3
InChIKeyVJPJLSHQWGCSRM-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylthiophen-3-amine?
The IUPAC name of N-ethyl-2-propylthiophen-3-amine (CID 10844862) is N-ethyl-2-propylthiophen-3-amine.
What is the SMILES notation for N-ethyl-2-propylthiophen-3-amine?
The canonical SMILES for N-ethyl-2-propylthiophen-3-amine is CCCc1sccc1NCC.
What is the InChIKey of N-ethyl-2-propylthiophen-3-amine?
The InChIKey is VJPJLSHQWGCSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-propylthiophen-3-amine?
N-ethyl-2-propylthiophen-3-amine has a molecular weight of 169.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylthiophen-3-amine is sourced from PubChem (CID 10844862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).