5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 106970860

IUPAC5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2(C)CCCCC2)o1
InChIInChI=1S/C11H20N4O/c1-11(6-4-3-5-7-11)13-10-15-14-9(16-10)8-12-2/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyKRFPFKARAROKNP-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.92
Rot. Bonds4

About 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970860) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970860
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2(C)CCCCC2)o1
InChIInChI=1S/C11H20N4O/c1-11(6-4-3-5-7-11)13-10-15-14-9(16-10)8-12-2/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyKRFPFKARAROKNP-UHFFFAOYSA-N
XLogP1.92
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106970860) is 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC2(C)CCCCC2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KRFPFKARAROKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(6-4-3-5-7-11)13-10-15-14-9(16-10)8-12-2/h12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).