1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine

C11H19N3S — CID 111702778

IUPAC1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\C)NCC(C)c1ccsc1
InChIInChI=1S/C11H19N3S/c1-4-13-11(12-3)14-7-9(2)10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)
InChIKeyMOSLEEVBIKOPPR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.04
Rot. Bonds4

About 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine

1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111702778) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111702778
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\C)NCC(C)c1ccsc1
InChIInChI=1S/C11H19N3S/c1-4-13-11(12-3)14-7-9(2)10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)
InChIKeyMOSLEEVBIKOPPR-UHFFFAOYSA-N
XLogP2.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.04
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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Related Compounds

1-butyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703317
methyl 2-methyl-3-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]propanoate
CID 111703057
1-[3-(diethylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702757
2-methyl-1-(2-pyrrolidin-1-ylbutyl)-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704294
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111773906
1-[(4-fluorophenyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704746
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704496
1-[(4-chlorophenyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703417
1-(2-butoxyethyl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702990
2-methyl-1-(2-pyrrolidin-1-ylbutyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704293
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703054
3-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111703364

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine (CID 111702778) is 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine is CCN/C(=N\C)NCC(C)c1ccsc1.
What is the InChIKey of 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is MOSLEEVBIKOPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-13-11(12-3)14-7-9(2)10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine?
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 225.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111702778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).