1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H18N4O — CID 106962753

IUPAC1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(N2CC(C)C(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-7-5-14(6-8(7)2)10-13-12-9(15-10)4-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyWKHUWLOTUNZUGC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds3

About 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 106962753) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID106962753
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(N2CC(C)C(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-7-5-14(6-8(7)2)10-13-12-9(15-10)4-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyWKHUWLOTUNZUGC-UHFFFAOYSA-N
XLogP0.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 106962753) is 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(N2CC(C)C(C)C2)o1.
What is the InChIKey of 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is WKHUWLOTUNZUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-5-14(6-8(7)2)10-13-12-9(15-10)4-11-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106962753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).