2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

C13H23N3O — CID 79847704

IUPAC2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc(C2(N)CCCCC2(C)C)no1
InChIInChI=1S/C13H23N3O/c1-9(2)10-15-11(16-17-10)13(14)8-6-5-7-12(13,3)4/h9H,5-8,14H2,1-4H3
InChIKeyQWLYYQATGOGFPQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.95
Rot. Bonds2

About 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 79847704) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID79847704
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc(C2(N)CCCCC2(C)C)no1
InChIInChI=1S/C13H23N3O/c1-9(2)10-15-11(16-17-10)13(14)8-6-5-7-12(13,3)4/h9H,5-8,14H2,1-4H3
InChIKeyQWLYYQATGOGFPQ-UHFFFAOYSA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 79847704) is 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC(C)c1nc(C2(N)CCCCC2(C)C)no1.
What is the InChIKey of 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is QWLYYQATGOGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)10-15-11(16-17-10)13(14)8-6-5-7-12(13,3)4/h9H,5-8,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 79847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).