1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine

C14H27N3O2 — CID 116704120

IUPAC1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
SMILESCOC(c1noc(CC(N)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)9(15)8-10-16-12(17-19-10)11(18-7)14(4,5)6/h9,11H,8,15H2,1-7H3
InChIKeyZSAQFTHDUXIIGR-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine

1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine (PubChem CID 116704120) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
PubChem CID116704120
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
SMILESCOC(c1noc(CC(N)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)9(15)8-10-16-12(17-19-10)11(18-7)14(4,5)6/h9,11H,8,15H2,1-7H3
InChIKeyZSAQFTHDUXIIGR-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine (CID 116704120) is 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine is COC(c1noc(CC(N)C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine?
The InChIKey is ZSAQFTHDUXIIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)9(15)8-10-16-12(17-19-10)11(18-7)14(4,5)6/h9,11H,8,15H2,1-7H3.
What are the key properties of 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine?
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 116704120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).