N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine

C11H19N3O — CID 106828749

IUPACN-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(C2(C)CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-11(6-4-3-5-7-11)10-13-9(8-12-2)14-15-10/h12H,3-8H2,1-2H3
InChIKeyJFEUIIODZGWDLX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds3

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

N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 106828749) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID106828749
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(C2(C)CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-11(6-4-3-5-7-11)10-13-9(8-12-2)14-15-10/h12H,3-8H2,1-2H3
InChIKeyJFEUIIODZGWDLX-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115028455
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65140310
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
CID 107911470
N-[[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 81451470
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 106828749) is N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine is CNCc1noc(C2(C)CCCCC2)n1.
What is the InChIKey of N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is JFEUIIODZGWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(6-4-3-5-7-11)10-13-9(8-12-2)14-15-10/h12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine?
N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 106828749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).