[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine

C15H27N3O2 — CID 116702739

IUPAC[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCCCC(OC)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-5-12(19-3)13-17-14(20-18-13)15(10-16)8-6-11(2)7-9-15/h11-12H,4-10,16H2,1-3H3
InChIKeyKLDQMEYBJCADKO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds6

About [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine

[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (PubChem CID 116702739) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
PubChem CID116702739
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCCCC(OC)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-5-12(19-3)13-17-14(20-18-13)15(10-16)8-6-11(2)7-9-15/h11-12H,4-10,16H2,1-3H3
InChIKeyKLDQMEYBJCADKO-UHFFFAOYSA-N
XLogP2.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702512
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116704065
[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116704695
ethyl 5-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631754
[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 113310598
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (CID 116702739) is [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is CCCC(OC)c1noc(C2(CN)CCC(C)CC2)n1.
What is the InChIKey of [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The InChIKey is KLDQMEYBJCADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-5-12(19-3)13-17-14(20-18-13)15(10-16)8-6-11(2)7-9-15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 116702739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).