2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine

C10H15NS — CID 131010716

IUPAC2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
SMILESCCC1CC1(N)c1sccc1C
InChIInChI=1S/C10H15NS/c1-3-8-6-10(8,11)9-7(2)4-5-12-9/h4-5,8H,3,6,11H2,1-2H3
InChIKeyLJYRHRVTOKTTNA-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.64
Rot. Bonds2

About 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine

2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine (PubChem CID 131010716) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
PubChem CID131010716
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
SMILESCCC1CC1(N)c1sccc1C
InChIInChI=1S/C10H15NS/c1-3-8-6-10(8,11)9-7(2)4-5-12-9/h4-5,8H,3,6,11H2,1-2H3
InChIKeyLJYRHRVTOKTTNA-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine?
The IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine (CID 131010716) is 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine is CCC1CC1(N)c1sccc1C.
What is the InChIKey of 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine?
The InChIKey is LJYRHRVTOKTTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-8-6-10(8,11)9-7(2)4-5-12-9/h4-5,8H,3,6,11H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine?
2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 131010716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).