[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C14H25N3O2 — CID 116702128

IUPAC[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCCOC(CC)c1noc(C2CCCCC2CN)n1
InChIInChI=1S/C14H25N3O2/c1-3-12(18-4-2)13-16-14(19-17-13)11-8-6-5-7-10(11)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyGAAHFSGJEIGWFA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.79
Rot. Bonds6

About [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 116702128) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID116702128
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCCOC(CC)c1noc(C2CCCCC2CN)n1
InChIInChI=1S/C14H25N3O2/c1-3-12(18-4-2)13-16-14(19-17-13)11-8-6-5-7-10(11)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyGAAHFSGJEIGWFA-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702159
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116732801
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(1-ethoxypropyl)-1,2,4-oxadiazole
CID 116702093
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116733127
[5-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116702191
5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631855
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 116702128) is [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CCOC(CC)c1noc(C2CCCCC2CN)n1.
What is the InChIKey of [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is GAAHFSGJEIGWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-12(18-4-2)13-16-14(19-17-13)11-8-6-5-7-10(11)9-15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 116702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).