2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine

C17H29N3O — CID 83209965

IUPAC2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
SMILESCC1(c2nc(C3CCCCCCC3)no2)CCCCC1N
InChIInChI=1S/C17H29N3O/c1-17(12-8-7-11-14(17)18)16-19-15(20-21-16)13-9-5-3-2-4-6-10-13/h13-14H,2-12,18H2,1H3
InChIKeyWCFMVMSVOIPHHG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.06
Rot. Bonds2

About 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine (PubChem CID 83209965) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
PubChem CID83209965
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
SMILESCC1(c2nc(C3CCCCCCC3)no2)CCCCC1N
InChIInChI=1S/C17H29N3O/c1-17(12-8-7-11-14(17)18)16-19-15(20-21-16)13-9-5-3-2-4-6-10-13/h13-14H,2-12,18H2,1H3
InChIKeyWCFMVMSVOIPHHG-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83213717
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764104
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116741632
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790306
2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116743165
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine (CID 83209965) is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine is CC1(c2nc(C3CCCCCCC3)no2)CCCCC1N.
What is the InChIKey of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine?
The InChIKey is WCFMVMSVOIPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(12-8-7-11-14(17)18)16-19-15(20-21-16)13-9-5-3-2-4-6-10-13/h13-14H,2-12,18H2,1H3.
What are the key properties of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine?
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).