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

C10H20N6O2 — CID 106412597

IUPAC1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCc1ncno1
InChIInChI=1S/C10H20N6O2/c1-2-17-7-3-5-12-10(16-11)13-6-4-9-14-8-15-18-9/h8H,2-7,11H2,1H3,(H2,12,13,16)
InChIKeyWLAMZYRXMRZWEA-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.55
Rot. Bonds8

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

1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 106412597) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID106412597
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCc1ncno1
InChIInChI=1S/C10H20N6O2/c1-2-17-7-3-5-12-10(16-11)13-6-4-9-14-8-15-18-9/h8H,2-7,11H2,1H3,(H2,12,13,16)
InChIKeyWLAMZYRXMRZWEA-UHFFFAOYSA-N
XLogP-0.55
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
CID 106106954
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-amino-3-(3-ethoxypropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 104884875
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
2-(4-ethoxybutyl)-1-ethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111946284
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
CID 116516053
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
5-(3-propoxypropyl)-1,2,4-oxadiazole
CID 91468959

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 106412597) is 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is CCOCCC/N=C(\NN)NCCc1ncno1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is WLAMZYRXMRZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-2-17-7-3-5-12-10(16-11)13-6-4-9-14-8-15-18-9/h8H,2-7,11H2,1H3,(H2,12,13,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 256.31 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 106412597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).