1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C11H19N3O2 — CID 106398411

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCC(C)(C)O2)no1
InChIInChI=1S/C11H19N3O2/c1-8-13-10(14-16-8)7-12-6-9-4-5-11(2,3)15-9/h9,12H,4-7H2,1-3H3
InChIKeyFGRUPEAQNWICIH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.43
Rot. Bonds4

About 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 106398411) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID106398411
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCC(C)(C)O2)no1
InChIInChI=1S/C11H19N3O2/c1-8-13-10(14-16-8)7-12-6-9-4-5-11(2,3)15-9/h9,12H,4-7H2,1-3H3
InChIKeyFGRUPEAQNWICIH-UHFFFAOYSA-N
XLogP1.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 106398411) is 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCC2CCC(C)(C)O2)no1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is FGRUPEAQNWICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-13-10(14-16-8)7-12-6-9-4-5-11(2,3)15-9/h9,12H,4-7H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 106398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).