4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C14H25N3O — CID 61353317

IUPAC4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC(C)CCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-10(2)4-5-12-16-13(17-18-12)14(15)8-6-11(3)7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyNISNKCTYUJIQBX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds4

About 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61353317) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61353317
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC(C)CCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-10(2)4-5-12-16-13(17-18-12)14(15)8-6-11(3)7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyNISNKCTYUJIQBX-UHFFFAOYSA-N
XLogP3.02
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103211741
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353316
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 65207366
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61353317) is 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CC(C)CCc1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is NISNKCTYUJIQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)4-5-12-16-13(17-18-12)14(15)8-6-11(3)7-9-14/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61353317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).