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

C14H25N3O — CID 65422879

IUPACN-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-10(2)11-4-6-12(7-5-11)14-16-13(18-17-14)8-9-15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyAQTXIDVBKZHBQU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds5

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

N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 65422879) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID65422879
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-10(2)11-4-6-12(7-5-11)14-16-13(18-17-14)8-9-15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyAQTXIDVBKZHBQU-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 65422879) is N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(C2CCC(C(C)C)CC2)no1.
What is the InChIKey of N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is AQTXIDVBKZHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)11-4-6-12(7-5-11)14-16-13(18-17-14)8-9-15-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 65422879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).