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

C16H27N3O — CID 65415106

IUPACcyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCC1CCC(c2noc(C(N)C3CCCCC3)n2)C1
InChIInChI=1S/C16H27N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h11-14H,2-10,17H2,1H3
InChIKeyGPSLURMDFVZXHU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.94
Rot. Bonds4

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

cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 65415106) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID65415106
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Namecyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCC1CCC(c2noc(C(N)C3CCCCC3)n2)C1
InChIInChI=1S/C16H27N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h11-14H,2-10,17H2,1H3
InChIKeyGPSLURMDFVZXHU-UHFFFAOYSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65403522
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 65415106) is cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine is CCC1CCC(c2noc(C(N)C3CCCCC3)n2)C1.
What is the InChIKey of cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GPSLURMDFVZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h11-14H,2-10,17H2,1H3.
What are the key properties of cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 65415106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).