1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine

C11H21N5O2 — CID 111601959

IUPAC1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\C)NCc1noc(C)n1
InChIInChI=1S/C11H21N5O2/c1-4-17-7-5-6-13-11(12-3)14-8-10-15-9(2)18-16-10/h4-8H2,1-3H3,(H2,12,13,14)
InChIKeyDCGIKJBAFCGYLY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.47
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine

1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (PubChem CID 111601959) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
PubChem CID111601959
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\C)NCc1noc(C)n1
InChIInChI=1S/C11H21N5O2/c1-4-17-7-5-6-13-11(12-3)14-8-10-15-9(2)18-16-10/h4-8H2,1-3H3,(H2,12,13,14)
InChIKeyDCGIKJBAFCGYLY-UHFFFAOYSA-N
XLogP0.47
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111602227
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111602061
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465115
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111621311
1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111602292
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-(3-ethoxypropyl)-2-methyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111221835
1-(3-ethoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763267
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111602189
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-octan-2-ylguanidine
CID 111793775
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111601864

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (CID 111601959) is 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is CCOCCCN/C(=N\C)NCc1noc(C)n1.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The InChIKey is DCGIKJBAFCGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-17-7-5-6-13-11(12-3)14-8-10-15-9(2)18-16-10/h4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine has a molecular weight of 255.32 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111601959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).