1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

C15H27N3O — CID 107182906

IUPAC1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCCCC2(C)C)n1
InChIInChI=1S/C15H27N3O/c1-14(2,3)11(16)12-17-13(19-18-12)10-8-6-7-9-15(10,4)5/h10-11H,6-9,16H2,1-5H3
InChIKeyVWQRRRWVDMJSGS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.80
Rot. Bonds2

About 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 107182906) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID107182906
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCCCC2(C)C)n1
InChIInChI=1S/C15H27N3O/c1-14(2,3)11(16)12-17-13(19-18-12)10-8-6-7-9-15(10,4)5/h10-11H,6-9,16H2,1-5H3
InChIKeyVWQRRRWVDMJSGS-UHFFFAOYSA-N
XLogP3.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 107182906) is 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1noc(C2CCCCC2(C)C)n1.
What is the InChIKey of 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is VWQRRRWVDMJSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2,3)11(16)12-17-13(19-18-12)10-8-6-7-9-15(10,4)5/h10-11H,6-9,16H2,1-5H3.
What are the key properties of 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 107182906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).