N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C9H17N3O — CID 62138113

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-5-10-6-7-11-12-8(13-7)9(2,3)4/h10H,5-6H2,1-4H3
InChIKeyZGZCBFXOALYWGF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.48
Rot. Bonds3

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 62138113) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID62138113
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-5-10-6-7-11-12-8(13-7)9(2,3)4/h10H,5-6H2,1-4H3
InChIKeyZGZCBFXOALYWGF-UHFFFAOYSA-N
XLogP1.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 62138113) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCNCc1nnc(C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is ZGZCBFXOALYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-10-6-7-11-12-8(13-7)9(2,3)4/h10H,5-6H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62138113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).