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

C10H19N3O — CID 63890411

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(C)Cc1noc(C(C)(C)N)n1
InChIInChI=1S/C10H19N3O/c1-9(2,3)6-7-12-8(14-13-7)10(4,5)11/h6,11H2,1-5H3
InChIKeyYVMNIFZOQGMXHK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.85
Rot. Bonds2

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

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63890411) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63890411
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(C)Cc1noc(C(C)(C)N)n1
InChIInChI=1S/C10H19N3O/c1-9(2,3)6-7-12-8(14-13-7)10(4,5)11/h6,11H2,1-5H3
InChIKeyYVMNIFZOQGMXHK-UHFFFAOYSA-N
XLogP1.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63891484
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 103146315
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901611
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65420585
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63890830
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65221685
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 131086186
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63892393
2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79953399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63890411) is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(C)Cc1noc(C(C)(C)N)n1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is YVMNIFZOQGMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2,3)6-7-12-8(14-13-7)10(4,5)11/h6,11H2,1-5H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63890411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).