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

C13H23N3O — CID 66478452

IUPACN-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C13H23N3O/c1-6-14-8-7-9-15-16-11(17-9)10-12(2,3)13(10,4)5/h10,14H,6-8H2,1-5H3
InChIKeyBNQPJPJVQALRRF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.37
Rot. Bonds5

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

N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 66478452) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID66478452
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C13H23N3O/c1-6-14-8-7-9-15-16-11(17-9)10-12(2,3)13(10,4)5/h10,14H,6-8H2,1-5H3
InChIKeyBNQPJPJVQALRRF-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.37
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-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 66478452) is N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNCCc1nnc(C2C(C)(C)C2(C)C)o1.
What is the InChIKey of N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is BNQPJPJVQALRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-14-8-7-9-15-16-11(17-9)10-12(2,3)13(10,4)5/h10,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 66478452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).