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

C9H17N3O — CID 53211498

IUPACN-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CC(C)C)n1
InChIInChI=1S/C9H17N3O/c1-7(2)6-9-11-8(12-13-9)4-5-10-3/h7,10H,4-6H2,1-3H3
InChIKeyWUYJJIIHOAFURB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds5

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

N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 53211498) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID53211498
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CC(C)C)n1
InChIInChI=1S/C9H17N3O/c1-7(2)6-9-11-8(12-13-9)4-5-10-3/h7,10H,4-6H2,1-3H3
InChIKeyWUYJJIIHOAFURB-UHFFFAOYSA-N
XLogP1.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65137895
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 89034695
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 53211498) is N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(CC(C)C)n1.
What is the InChIKey of N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is WUYJJIIHOAFURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)6-9-11-8(12-13-9)4-5-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 53211498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).