3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

C14H27N3O2 — CID 79202804

IUPAC3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C14H27N3O2/c1-5-6-11(9-10-15)7-8-12-16-13(17-19-12)14(2,3)18-4/h11H,5-10,15H2,1-4H3
InChIKeyBJDSNVLPHZEYHA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.65
Rot. Bonds9

About 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (PubChem CID 79202804) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.

Molecular Properties

Compound Name3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
PubChem CID79202804
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C14H27N3O2/c1-5-6-11(9-10-15)7-8-12-16-13(17-19-12)14(2,3)18-4/h11H,5-10,15H2,1-4H3
InChIKeyBJDSNVLPHZEYHA-UHFFFAOYSA-N
XLogP2.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The IUPAC name of 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (CID 79202804) is 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.
What is the SMILES notation for 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The canonical SMILES for 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is CCCC(CCN)CCc1nc(C(C)(C)OC)no1.
What is the InChIKey of 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The InChIKey is BJDSNVLPHZEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-6-11(9-10-15)7-8-12-16-13(17-19-12)14(2,3)18-4/h11H,5-10,15H2,1-4H3.
What are the key properties of 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is sourced from PubChem (CID 79202804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).