3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine

C10H17N3O — CID 62136737

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C2CC2)o1
InChIInChI=1S/C10H17N3O/c1-2-11-7-3-4-9-12-13-10(14-9)8-5-6-8/h8,11H,2-7H2,1H3
InChIKeyUMOBMLVNXJVZFR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds6

About 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine (PubChem CID 62136737) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
PubChem CID62136737
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C2CC2)o1
InChIInChI=1S/C10H17N3O/c1-2-11-7-3-4-9-12-13-10(14-9)8-5-6-8/h8,11H,2-7H2,1H3
InChIKeyUMOBMLVNXJVZFR-UHFFFAOYSA-N
XLogP1.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine (CID 62136737) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine is CCNCCCc1nnc(C2CC2)o1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is UMOBMLVNXJVZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-11-7-3-4-9-12-13-10(14-9)8-5-6-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62136737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).