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

C12H21N3O — CID 107925090

IUPAC2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-5-6-12(4,13)10-14-9(15-16-10)8-7-11(8,2)3/h8H,5-7,13H2,1-4H3
InChIKeyGTZFEWKSOFQISA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds4

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

2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 107925090) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID107925090
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-5-6-12(4,13)10-14-9(15-16-10)8-7-11(8,2)3/h8H,5-7,13H2,1-4H3
InChIKeyGTZFEWKSOFQISA-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 107925090) is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(C2CC2(C)C)no1.
What is the InChIKey of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is GTZFEWKSOFQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-12(4,13)10-14-9(15-16-10)8-7-11(8,2)3/h8H,5-7,13H2,1-4H3.
What are the key properties of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.56, 4 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]pentan-2-amine is sourced from PubChem (CID 107925090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).