(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C15H27N3O2 — CID 104915562

IUPAC(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC1(c2noc([C@H](N)CC)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-11(16)12-17-13(18-20-12)15(19-6-2)9-7-14(3,4)8-10-15/h11H,5-10,16H2,1-4H3/t11-/m1/s1
InChIKeyXXSLHYIWUTUPOV-LLVKDONJSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds5

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

(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915562) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915562
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC1(c2noc([C@H](N)CC)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-11(16)12-17-13(18-20-12)15(19-6-2)9-7-14(3,4)8-10-15/h11H,5-10,16H2,1-4H3/t11-/m1/s1
InChIKeyXXSLHYIWUTUPOV-LLVKDONJSA-N
XLogP3.31
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116741461
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355
1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 116742976
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781360
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915562) is (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCOC1(c2noc([C@H](N)CC)n2)CCC(C)(C)CC1.
What is the InChIKey of (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is XXSLHYIWUTUPOV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-11(16)12-17-13(18-20-12)15(19-6-2)9-7-14(3,4)8-10-15/h11H,5-10,16H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).