2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine

C11H20N2S — CID 83929368

IUPAC2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
SMILESCCc1ccc(CCC(CN)CN)s1
InChIInChI=1S/C11H20N2S/c1-2-10-5-6-11(14-10)4-3-9(7-12)8-13/h5-6,9H,2-4,7-8,12-13H2,1H3
InChIKeyFOTQOXPPBHEZOL-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine

2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine (PubChem CID 83929368) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
PubChem CID83929368
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
SMILESCCc1ccc(CCC(CN)CN)s1
InChIInChI=1S/C11H20N2S/c1-2-10-5-6-11(14-10)4-3-9(7-12)8-13/h5-6,9H,2-4,7-8,12-13H2,1H3
InChIKeyFOTQOXPPBHEZOL-UHFFFAOYSA-N
XLogP1.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
CID 62505549
4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
CID 81010267
2,5-diethylthiophene
CID 521294
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)hexan-2-one
CID 116596414
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
2-dodecyl-5-ethylthiophene
CID 528251
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)-6-methylheptan-2-one
CID 116577024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine (CID 83929368) is 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine is CCc1ccc(CCC(CN)CN)s1.
What is the InChIKey of 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is FOTQOXPPBHEZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-10-5-6-11(14-10)4-3-9(7-12)8-13/h5-6,9H,2-4,7-8,12-13H2,1H3.
What are the key properties of 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine?
2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83929368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).