2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine

C9H17N3O — CID 62071124

IUPAC2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(C)(C)Cc1nnc(CCN)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)6-8-12-11-7(13-8)4-5-10/h4-6,10H2,1-3H3
InChIKeyDPJBVSNYNNBPOA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.16
Rot. Bonds3

About 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071124) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071124
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(C)(C)Cc1nnc(CCN)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)6-8-12-11-7(13-8)4-5-10/h4-6,10H2,1-3H3
InChIKeyDPJBVSNYNNBPOA-UHFFFAOYSA-N
XLogP1.16
TPSA64.94 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071124) is 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(C)(C)Cc1nnc(CCN)o1.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DPJBVSNYNNBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)6-8-12-11-7(13-8)4-5-10/h4-6,10H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).