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

C11H20N6O — CID 106424851

IUPAC1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCc1noc(CC/N=C(\NN)NC2CCCC2)n1
InChIInChI=1S/C11H20N6O/c1-8-14-10(18-17-8)6-7-13-11(16-12)15-9-4-2-3-5-9/h9H,2-7,12H2,1H3,(H2,13,15,16)
InChIKeyFEOSCLOPUQHJKZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.27
Rot. Bonds4

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

1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 106424851) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID106424851
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCc1noc(CC/N=C(\NN)NC2CCCC2)n1
InChIInChI=1S/C11H20N6O/c1-8-14-10(18-17-8)6-7-13-11(16-12)15-9-4-2-3-5-9/h9H,2-7,12H2,1H3,(H2,13,15,16)
InChIKeyFEOSCLOPUQHJKZ-UHFFFAOYSA-N
XLogP0.27
TPSA101.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111920181
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 109482843
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
CID 116516539
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317818
1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103646420
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 119150579
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317817
1-(3-cyclopentylpropyl)-3-ethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111946951

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 106424851) is 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is Cc1noc(CC/N=C(\NN)NC2CCCC2)n1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is FEOSCLOPUQHJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8-14-10(18-17-8)6-7-13-11(16-12)15-9-4-2-3-5-9/h9H,2-7,12H2,1H3,(H2,13,15,16).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 252.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 106424851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).