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

C14H25N3O2 — CID 115442828

IUPAC[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCOC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-10-5-7-14(9-15,8-6-10)12-16-11(17-19-12)13(2,3)18-4/h10H,5-9,15H2,1-4H3
InChIKeyRLMHDFISHDEDEC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds4

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

[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (PubChem CID 115442828) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
PubChem CID115442828
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCOC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-10-5-7-14(9-15,8-6-10)12-16-11(17-19-12)13(2,3)18-4/h10H,5-9,15H2,1-4H3
InChIKeyRLMHDFISHDEDEC-UHFFFAOYSA-N
XLogP2.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116704695
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 116740457
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
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-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442832
[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442839
[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450902
[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 103594984

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (CID 115442828) is [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is COC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1.
What is the InChIKey of [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The InChIKey is RLMHDFISHDEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-5-7-14(9-15,8-6-10)12-16-11(17-19-12)13(2,3)18-4/h10H,5-9,15H2,1-4H3.
What are the key properties of [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115442828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).