1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine

C10H15N3S — CID 51130752

IUPAC1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NC1CC1
InChIInChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13)
InChIKeySWJOFACUYCRNRC-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.36
Rot. Bonds4

About 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine

1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 51130752) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID51130752
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NC1CC1
InChIInChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13)
InChIKeySWJOFACUYCRNRC-UHFFFAOYSA-N
XLogP1.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine (CID 51130752) is 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCc1cccs1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is SWJOFACUYCRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine?
1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 209.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 51130752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).