1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine

C9H15N3O — CID 25219200

IUPAC1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
SMILESCNCc1noc(C2CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyAUNSEZAFBPKZDW-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.45
Rot. Bonds3

About 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine

1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine (PubChem CID 25219200) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
PubChem CID25219200
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
SMILESCNCc1noc(C2CCCC2)n1
InChIInChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyAUNSEZAFBPKZDW-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine (CID 25219200) is 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine is CNCc1noc(C2CCCC2)n1.
What is the InChIKey of 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine?
The InChIKey is AUNSEZAFBPKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine?
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 25219200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).