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

C11H21N3O — CID 62162598

IUPAC2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)c1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C11H21N3O/c1-8(2)10-14-13-9(15-10)6-7-12-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyQHFFHOIQVMGFQL-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.12
Rot. Bonds4

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

2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine (PubChem CID 62162598) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
PubChem CID62162598
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)c1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C11H21N3O/c1-8(2)10-14-13-9(15-10)6-7-12-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyQHFFHOIQVMGFQL-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine (CID 62162598) is 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine is CC(C)c1nnc(CCNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is QHFFHOIQVMGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)10-14-13-9(15-10)6-7-12-11(3,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62162598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).