2-cyclopropyl-1-thiophen-3-ylethanamine

C9H13NS — CID 55293747

IUPAC2-cyclopropyl-1-thiophen-3-ylethanamine
SMILESNC(CC1CC1)c1ccsc1
InChIInChI=1S/C9H13NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5,10H2
InChIKeyXJFDRFFWNQOOBQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopropyl-1-thiophen-3-ylethanamine

2-cyclopropyl-1-thiophen-3-ylethanamine (PubChem CID 55293747) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-thiophen-3-ylethanamine
PubChem CID55293747
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-cyclopropyl-1-thiophen-3-ylethanamine
SMILESNC(CC1CC1)c1ccsc1
InChIInChI=1S/C9H13NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5,10H2
InChIKeyXJFDRFFWNQOOBQ-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-cyclopropyl-1-thiophen-3-ylethanamine (CID 55293747) is 2-cyclopropyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-cyclopropyl-1-thiophen-3-ylethanamine is NC(CC1CC1)c1ccsc1.
What is the InChIKey of 2-cyclopropyl-1-thiophen-3-ylethanamine?
The InChIKey is XJFDRFFWNQOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5,10H2.
What are the key properties of 2-cyclopropyl-1-thiophen-3-ylethanamine?
2-cyclopropyl-1-thiophen-3-ylethanamine has a molecular weight of 167.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 55293747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).