N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

C11H19N3O — CID 107924618

IUPACN-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C2CC2(C)C)no1
InChIInChI=1S/C11H19N3O/c1-7(2)12-6-9-13-10(14-15-9)8-5-11(8,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyADOKHQQUCVYWIN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.08
Rot. Bonds4

About N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (PubChem CID 107924618) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
PubChem CID107924618
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C2CC2(C)C)no1
InChIInChI=1S/C11H19N3O/c1-7(2)12-6-9-13-10(14-15-9)8-5-11(8,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyADOKHQQUCVYWIN-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 107925220
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
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 107924991
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (CID 107924618) is N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nc(C2CC2(C)C)no1.
What is the InChIKey of N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ADOKHQQUCVYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)12-6-9-13-10(14-15-9)8-5-11(8,3)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 107924618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).