1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine

C14H25N3O — CID 62719072

IUPAC1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CCC(C(C)(C)C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-9(15)12-16-17-13(18-12)10-5-7-11(8-6-10)14(2,3)4/h9-11H,5-8,15H2,1-4H3
InChIKeyQKWOKUIPEQIWPT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.41
Rot. Bonds2

About 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62719072) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62719072
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CCC(C(C)(C)C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-9(15)12-16-17-13(18-12)10-5-7-11(8-6-10)14(2,3)4/h9-11H,5-8,15H2,1-4H3
InChIKeyQKWOKUIPEQIWPT-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62719072) is 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C2CCC(C(C)(C)C)CC2)o1.
What is the InChIKey of 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QKWOKUIPEQIWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(15)12-16-17-13(18-12)10-5-7-11(8-6-10)14(2,3)4/h9-11H,5-8,15H2,1-4H3.
What are the key properties of 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62719072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).