3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine

C11H20N4OS — CID 116515816

IUPAC3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
SMILESCOCC/N=C(\NN)N(C)CCc1cccs1
InChIInChI=1S/C11H20N4OS/c1-15(7-5-10-4-3-9-17-10)11(14-12)13-6-8-16-2/h3-4,9H,5-8,12H2,1-2H3,(H,13,14)
InChIKeyQCVHHSGGSDNZEW-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.69
Rot. Bonds6

About 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine

3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 116515816) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID116515816
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
SMILESCOCC/N=C(\NN)N(C)CCc1cccs1
InChIInChI=1S/C11H20N4OS/c1-15(7-5-10-4-3-9-17-10)11(14-12)13-6-8-16-2/h3-4,9H,5-8,12H2,1-2H3,(H,13,14)
InChIKeyQCVHHSGGSDNZEW-UHFFFAOYSA-N
XLogP0.69
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
CID 63181895
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
1-butyl-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111159672
3-amino-2-(3-ethoxypropyl)-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
CID 116514461
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111241383
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 116514915
3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
CID 116514381
3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111350272
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine (CID 116515816) is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine is COCC/N=C(\NN)N(C)CCc1cccs1.
What is the InChIKey of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is QCVHHSGGSDNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-15(7-5-10-4-3-9-17-10)11(14-12)13-6-8-16-2/h3-4,9H,5-8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine?
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 256.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 116515816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).