1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine

C17H31N3O — CID 65426980

IUPAC1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
SMILESCCCCCCCCc1nc(C2(N)CCCCCC2)no1
InChIInChI=1S/C17H31N3O/c1-2-3-4-5-6-9-12-15-19-16(20-21-15)17(18)13-10-7-8-11-14-17/h2-14,18H2,1H3
InChIKeyBVYZVOMZWYXEHP-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.48
Rot. Bonds8

About 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine

1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine (PubChem CID 65426980) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
PubChem CID65426980
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
SMILESCCCCCCCCc1nc(C2(N)CCCCCC2)no1
InChIInChI=1S/C17H31N3O/c1-2-3-4-5-6-9-12-15-19-16(20-21-15)17(18)13-10-7-8-11-14-17/h2-14,18H2,1H3
InChIKeyBVYZVOMZWYXEHP-UHFFFAOYSA-N
XLogP4.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290

Frequently Asked Questions

What is the IUPAC name of 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine?
The IUPAC name of 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine (CID 65426980) is 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine is CCCCCCCCc1nc(C2(N)CCCCCC2)no1.
What is the InChIKey of 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine?
The InChIKey is BVYZVOMZWYXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-3-4-5-6-9-12-15-19-16(20-21-15)17(18)13-10-7-8-11-14-17/h2-14,18H2,1H3.
What are the key properties of 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine?
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 65426980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).