N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine

C8H15N3O — CID 815001

IUPACN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nonc1C
InChIInChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3
InChIKeyYHIIXCRCOYDICX-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds4

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

N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 815001) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
PubChem CID815001
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nonc1C
InChIInChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3
InChIKeyYHIIXCRCOYDICX-UHFFFAOYSA-N
XLogP1.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (CID 815001) is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is CCN(CC)Cc1nonc1C.
What is the InChIKey of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is YHIIXCRCOYDICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 815001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).