2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine

C11H19N3O2 — CID 106393421

IUPAC2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2ncon2)C(C)(C)O1
InChIInChI=1S/C11H19N3O2/c1-10(2)5-8(11(3,4)16-10)12-6-9-13-7-15-14-9/h7-8,12H,5-6H2,1-4H3
InChIKeyRTYQXALUTYZCJN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.51
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine (PubChem CID 106393421) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine
PubChem CID106393421
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2ncon2)C(C)(C)O1
InChIInChI=1S/C11H19N3O2/c1-10(2)5-8(11(3,4)16-10)12-6-9-13-7-15-14-9/h7-8,12H,5-6H2,1-4H3
InChIKeyRTYQXALUTYZCJN-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine (CID 106393421) is 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine is CC1(C)CC(NCc2ncon2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine?
The InChIKey is RTYQXALUTYZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2)5-8(11(3,4)16-10)12-6-9-13-7-15-14-9/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine has a molecular weight of 225.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 106393421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).