2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H15N3O — CID 104880780

IUPAC2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1noc(CCN)n1
InChIInChI=1S/C9H15N3O/c1-9(2)5-6(9)8-11-7(3-4-10)13-12-8/h6H,3-5,10H2,1-2H3
InChIKeyZLFKIHGRPCEBAC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds3

About 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104880780) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104880780
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1noc(CCN)n1
InChIInChI=1S/C9H15N3O/c1-9(2)5-6(9)8-11-7(3-4-10)13-12-8/h6H,3-5,10H2,1-2H3
InChIKeyZLFKIHGRPCEBAC-UHFFFAOYSA-N
XLogP1.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 107924606
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107924677
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 107924991
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104880819
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 104880792
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 107924618
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 107925220
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104880780) is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1(C)CC1c1noc(CCN)n1.
What is the InChIKey of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZLFKIHGRPCEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2)5-6(9)8-11-7(3-4-10)13-12-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104880780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).