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

C13H24N4O — CID 106971262

IUPAC5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC1CCC(Nc2nnc(CNC)o2)CC1
InChIInChI=1S/C13H24N4O/c1-3-4-10-5-7-11(8-6-10)15-13-17-16-12(18-13)9-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFPSFMVQANDUTEI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds6

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

5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106971262) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106971262
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC1CCC(Nc2nnc(CNC)o2)CC1
InChIInChI=1S/C13H24N4O/c1-3-4-10-5-7-11(8-6-10)15-13-17-16-12(18-13)9-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFPSFMVQANDUTEI-UHFFFAOYSA-N
XLogP2.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
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-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106971262) is 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine is CCCC1CCC(Nc2nnc(CNC)o2)CC1.
What is the InChIKey of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FPSFMVQANDUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-10-5-7-11(8-6-10)15-13-17-16-12(18-13)9-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).