5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine

C14H24N4O — CID 106962278

IUPAC5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(C)CC(Nc2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C14H24N4O/c1-9-5-10(2)7-12(6-9)16-14-18-17-13(19-14)8-15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyNLFFPYZTKBIKGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.56
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962278) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962278
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(C)CC(Nc2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C14H24N4O/c1-9-5-10(2)7-12(6-9)16-14-18-17-13(19-14)8-15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyNLFFPYZTKBIKGR-UHFFFAOYSA-N
XLogP2.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106962278) is 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is CC1CC(C)CC(Nc2nnc(CNC3CC3)o2)C1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NLFFPYZTKBIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-5-10(2)7-12(6-9)16-14-18-17-13(19-14)8-15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).