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

C8H14N4S — CID 116513135

IUPAC1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NN
InChIInChI=1S/C8H14N4S/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12)
InChIKeyMGKXTTCWFOVBIU-UHFFFAOYSA-N
MW198.30 g/mol
LogP0.68
Rot. Bonds3

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

1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 116513135) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
PubChem CID116513135
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NN
InChIInChI=1S/C8H14N4S/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12)
InChIKeyMGKXTTCWFOVBIU-UHFFFAOYSA-N
XLogP0.68
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
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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Related Compounds

1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110914274
1-ethyl-3-propyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111225400
1-ethyl-3-prop-2-ynyl-2-(thiophen-2-ylmethyl)guanidine
CID 111260173
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111178780
1-ethyl-3-(3-methoxypropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110974619
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111965631
1-ethyl-3-(2-pyrazol-1-ylethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111260333
3-[[N-ethyl-N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111259245
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 109469720
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 109417753
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111260313
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257389

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine (CID 116513135) is 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine is CCN/C(=N\Cc1cccs1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is MGKXTTCWFOVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine?
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 198.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 116513135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).