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

C11H19N3O — CID 106659849

IUPACN-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-12-10(15-14-8)13-9-5-4-6-11(2,3)7-9/h9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyQWNCMFGUKFKFCP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.76
Rot. Bonds2

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

N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659849) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659849
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-12-10(15-14-8)13-9-5-4-6-11(2,3)7-9/h9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyQWNCMFGUKFKFCP-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659849) is N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC2CCCC(C)(C)C2)n1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is QWNCMFGUKFKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-12-10(15-14-8)13-9-5-4-6-11(2,3)7-9/h9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 209.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).