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

C9H16N4O — CID 63301239

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCNC2)no1
InChIInChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13(2)8-3-4-10-5-8/h8,10H,3-6H2,1-2H3
InChIKeyLLJCEPUFQPXEPR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 63301239) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID63301239
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCNC2)no1
InChIInChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13(2)8-3-4-10-5-8/h8,10H,3-6H2,1-2H3
InChIKeyLLJCEPUFQPXEPR-UHFFFAOYSA-N
XLogP0.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 63301239) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is Cc1nc(CN(C)C2CCNC2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LLJCEPUFQPXEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13(2)8-3-4-10-5-8/h8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63301239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).