2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C11H19N3O2 — CID 62060865

IUPAC2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCO2)o1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)12-7-9-13-14-10(16-9)8-5-4-6-15-8/h8,12H,4-7H2,1-3H3
InChIKeyRZBFCODBEVDTRJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62060865) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62060865
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCO2)o1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)12-7-9-13-14-10(16-9)8-5-4-6-15-8/h8,12H,4-7H2,1-3H3
InChIKeyRZBFCODBEVDTRJ-UHFFFAOYSA-N
XLogP1.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62060865) is 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(C2CCCO2)o1.
What is the InChIKey of 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is RZBFCODBEVDTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)12-7-9-13-14-10(16-9)8-5-4-6-15-8/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62060865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).