3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine

C11H18N4S — CID 116514468

IUPAC3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
SMILESCCN(Cc1cccs1)/C(=N/C1CC1)NN
InChIInChI=1S/C11H18N4S/c1-2-15(8-10-4-3-7-16-10)11(14-12)13-9-5-6-9/h3-4,7,9H,2,5-6,8,12H2,1H3,(H,13,14)
InChIKeyGQEFECUPPHTIHI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine

3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine (PubChem CID 116514468) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
PubChem CID116514468
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
SMILESCCN(Cc1cccs1)/C(=N/C1CC1)NN
InChIInChI=1S/C11H18N4S/c1-2-15(8-10-4-3-7-16-10)11(14-12)13-9-5-6-9/h3-4,7,9H,2,5-6,8,12H2,1H3,(H,13,14)
InChIKeyGQEFECUPPHTIHI-UHFFFAOYSA-N
XLogP1.55
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine (CID 116514468) is 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine is CCN(Cc1cccs1)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine?
The InChIKey is GQEFECUPPHTIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-15(8-10-4-3-7-16-10)11(14-12)13-9-5-6-9/h3-4,7,9H,2,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine?
3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine has a molecular weight of 238.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 116514468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).