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

C10H17N3O — CID 65421018

IUPACN-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C2CC2C)no1
InChIInChI=1S/C10H17N3O/c1-6-5-7(6)8-12-9(14-13-8)10(2,3)11-4/h6-7,11H,5H2,1-4H3
InChIKeyPFQGPIHLPHEIHN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.65
Rot. Bonds3

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

N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 65421018) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID65421018
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C2CC2C)no1
InChIInChI=1S/C10H17N3O/c1-6-5-7(6)8-12-9(14-13-8)10(2,3)11-4/h6-7,11H,5H2,1-4H3
InChIKeyPFQGPIHLPHEIHN-UHFFFAOYSA-N
XLogP1.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 65421018) is N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)(C)c1nc(C2CC2C)no1.
What is the InChIKey of N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is PFQGPIHLPHEIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-5-7(6)8-12-9(14-13-8)10(2,3)11-4/h6-7,11H,5H2,1-4H3.
What are the key properties of N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 65421018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).