[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C14H25N3O — CID 115442761

IUPAC[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC(C)Cc1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-10(2)8-12-16-13(18-17-12)14(9-15)6-4-11(3)5-7-14/h10-11H,4-9,15H2,1-3H3
InChIKeyGHPHBYTYLHTPNA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.67
Rot. Bonds4

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

[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 115442761) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID115442761
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC(C)Cc1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-10(2)8-12-16-13(18-17-12)14(9-15)6-4-11(3)5-7-14/h10-11H,4-9,15H2,1-3H3
InChIKeyGHPHBYTYLHTPNA-UHFFFAOYSA-N
XLogP2.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 115442761) is [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC(C)Cc1noc(C2(CN)CCC(C)CC2)n1.
What is the InChIKey of [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is GHPHBYTYLHTPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)8-12-16-13(18-17-12)14(9-15)6-4-11(3)5-7-14/h10-11H,4-9,15H2,1-3H3.
What are the key properties of [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115442761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).