1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H27N3O2 — CID 116740891

IUPAC1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCOC(CC)(CC)c1noc(C2(N)CCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2,19-6-3)12-17-13(20-18-12)14(16)10-8-7-9-11-14/h4-11,16H2,1-3H3
InChIKeyQGQZBZZJKBLYJI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.24
Rot. Bonds6

About 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 116740891) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID116740891
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCOC(CC)(CC)c1noc(C2(N)CCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2,19-6-3)12-17-13(20-18-12)14(16)10-8-7-9-11-14/h4-11,16H2,1-3H3
InChIKeyQGQZBZZJKBLYJI-UHFFFAOYSA-N
XLogP3.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 116740891) is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCOC(CC)(CC)c1noc(C2(N)CCCCC2)n1.
What is the InChIKey of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is QGQZBZZJKBLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-15(5-2,19-6-3)12-17-13(20-18-12)14(16)10-8-7-9-11-14/h4-11,16H2,1-3H3.
What are the key properties of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 116740891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).