N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H19N3O — CID 62164313

IUPACN-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(CC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-4-11-6-5-9-12-13-10(14-9)7-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyHWUOHNODSQTQTK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds6

About N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62164313) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62164313
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(CC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-4-11-6-5-9-12-13-10(14-9)7-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyHWUOHNODSQTQTK-UHFFFAOYSA-N
XLogP1.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
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 N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62164313) is N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNCCc1nnc(CC(C)C)o1.
What is the InChIKey of N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is HWUOHNODSQTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-6-5-9-12-13-10(14-9)7-8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62164313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).