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

C15H27N3O — CID 114753771

IUPAC1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
SMILESCCCCCCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C15H27N3O/c1-3-4-5-6-7-13-17-14(18-19-13)15(16)10-8-12(2)9-11-15/h12H,3-11,16H2,1-2H3
InChIKeyUFVWQABFZHGPHH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.56
Rot. Bonds6

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

1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine (PubChem CID 114753771) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
PubChem CID114753771
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
SMILESCCCCCCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C15H27N3O/c1-3-4-5-6-7-13-17-14(18-19-13)15(16)10-8-12(2)9-11-15/h12H,3-11,16H2,1-2H3
InChIKeyUFVWQABFZHGPHH-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.56
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

4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353317
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103211741
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353316
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
4-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781736

Frequently Asked Questions

What is the IUPAC name of 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine (CID 114753771) is 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine is CCCCCCc1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine?
The InChIKey is UFVWQABFZHGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-4-5-6-7-13-17-14(18-19-13)15(16)10-8-12(2)9-11-15/h12H,3-11,16H2,1-2H3.
What are the key properties of 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine?
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114753771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).