5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine

C8H15N3O — CID 147007426

IUPAC5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C8H15N3O/c1-8(2,3)5-6-10-11-7(9-4)12-6/h5H2,1-4H3,(H,9,11)
InChIKeyATFNAGMGUSTCLD-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.70
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 147007426) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID147007426
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C8H15N3O/c1-8(2,3)5-6-10-11-7(9-4)12-6/h5H2,1-4H3,(H,9,11)
InChIKeyATFNAGMGUSTCLD-UHFFFAOYSA-N
XLogP1.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 147007426) is 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is ATFNAGMGUSTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)5-6-10-11-7(9-4)12-6/h5H2,1-4H3,(H,9,11).
What are the key properties of 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 169.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 147007426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).