1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine

C11H26N4OS — CID 104886195

IUPAC1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCCOCCCN/C(=N\CC(C)CSC)NN
InChIInChI=1S/C11H26N4OS/c1-4-16-7-5-6-13-11(15-12)14-8-10(2)9-17-3/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyIFMJXURMYUXJHO-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.82
Rot. Bonds9

About 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine

1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine (PubChem CID 104886195) has the molecular formula C11H26N4OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
PubChem CID104886195
Molecular FormulaC11H26N4OS
Molecular Weight262.42 g/mol
Exact Mass262.18
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCCOCCCN/C(=N\CC(C)CSC)NN
InChIInChI=1S/C11H26N4OS/c1-4-16-7-5-6-13-11(15-12)14-8-10(2)9-17-3/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyIFMJXURMYUXJHO-UHFFFAOYSA-N
XLogP0.82
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
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

1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine
CID 104887166
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608
1-amino-2-(2,2-dimethylheptyl)-3-(3-ethoxypropyl)guanidine
CID 104887663
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111769721
1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111891337
1-amino-3-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 116512385
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine (CID 104886195) is 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine is CCOCCCN/C(=N\CC(C)CSC)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The InChIKey is IFMJXURMYUXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4OS/c1-4-16-7-5-6-13-11(15-12)14-8-10(2)9-17-3/h10H,4-9,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine has a molecular weight of 262.42 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104886195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).