2-(2-ethylthiophen-3-yl)propane-1,3-diamine

C9H16N2S — CID 70508164

IUPAC2-(2-ethylthiophen-3-yl)propane-1,3-diamine
SMILESCCc1sccc1C(CN)CN
InChIInChI=1S/C9H16N2S/c1-2-9-8(3-4-12-9)7(5-10)6-11/h3-4,7H,2,5-6,10-11H2,1H3
InChIKeyINCAMNGKJGSCDI-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.31
Rot. Bonds4

About 2-(2-ethylthiophen-3-yl)propane-1,3-diamine

2-(2-ethylthiophen-3-yl)propane-1,3-diamine (PubChem CID 70508164) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(2-ethylthiophen-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2-ethylthiophen-3-yl)propane-1,3-diamine
PubChem CID70508164
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(2-ethylthiophen-3-yl)propane-1,3-diamine
SMILESCCc1sccc1C(CN)CN
InChIInChI=1S/C9H16N2S/c1-2-9-8(3-4-12-9)7(5-10)6-11/h3-4,7H,2,5-6,10-11H2,1H3
InChIKeyINCAMNGKJGSCDI-UHFFFAOYSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiophen-3-yl)propane-1,3-diamine?
The IUPAC name of 2-(2-ethylthiophen-3-yl)propane-1,3-diamine (CID 70508164) is 2-(2-ethylthiophen-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(2-ethylthiophen-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-(2-ethylthiophen-3-yl)propane-1,3-diamine is CCc1sccc1C(CN)CN.
What is the InChIKey of 2-(2-ethylthiophen-3-yl)propane-1,3-diamine?
The InChIKey is INCAMNGKJGSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-9-8(3-4-12-9)7(5-10)6-11/h3-4,7H,2,5-6,10-11H2,1H3.
What are the key properties of 2-(2-ethylthiophen-3-yl)propane-1,3-diamine?
2-(2-ethylthiophen-3-yl)propane-1,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiophen-3-yl)propane-1,3-diamine is sourced from PubChem (CID 70508164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).