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

C9H17N3O — CID 62138099

IUPAC1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)5-7-11-12-8(13-7)6-10-4/h10H,5-6H2,1-4H3
InChIKeyKXLRXXBGXRICJF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds3

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

1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62138099) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62138099
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)5-7-11-12-8(13-7)6-10-4/h10H,5-6H2,1-4H3
InChIKeyKXLRXXBGXRICJF-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62138099) is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is KXLRXXBGXRICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)5-7-11-12-8(13-7)6-10-4/h10H,5-6H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62138099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).