1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine

C13H23N3O — CID 61323612

IUPAC1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(14)11-15-12(17-16-11)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyFAFBTMDPRQZYJE-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.16
Rot. Bonds2

About 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine

1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine (PubChem CID 61323612) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
PubChem CID61323612
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)10(14)11-15-12(17-16-11)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyFAFBTMDPRQZYJE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-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 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine (CID 61323612) is 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1noc(C2CCCCC2)n1.
What is the InChIKey of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is FAFBTMDPRQZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)10(14)11-15-12(17-16-11)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61323612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).