5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine

C11H20N4O — CID 102629557

IUPAC5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine
SMILESCC1C(N)CCC(c2nc(N)no2)C1(C)C
InChIInChI=1S/C11H20N4O/c1-6-8(12)5-4-7(11(6,2)3)9-14-10(13)15-16-9/h6-8H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyHDMCRWJKZPVNLJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.52
Rot. Bonds1

About 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine

5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine (PubChem CID 102629557) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine
PubChem CID102629557
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine
SMILESCC1C(N)CCC(c2nc(N)no2)C1(C)C
InChIInChI=1S/C11H20N4O/c1-6-8(12)5-4-7(11(6,2)3)9-14-10(13)15-16-9/h6-8H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyHDMCRWJKZPVNLJ-UHFFFAOYSA-N
XLogP1.52
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine (CID 102629557) is 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine is CC1C(N)CCC(c2nc(N)no2)C1(C)C.
What is the InChIKey of 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is HDMCRWJKZPVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-6-8(12)5-4-7(11(6,2)3)9-14-10(13)15-16-9/h6-8H,4-5,12H2,1-3H3,(H2,13,15).
What are the key properties of 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine?
5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,2,3-trimethylcyclohexyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 102629557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).