[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine

C15H27N3O2 — CID 116740484

IUPAC[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
SMILESCCC(C)(OC)c1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-14(2,19-3)13-17-12(20-18-13)10-15(11-16)8-6-5-7-9-15/h4-11,16H2,1-3H3
InChIKeyNMWARGBMTNNUMV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds6

About [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine

[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine (PubChem CID 116740484) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
PubChem CID116740484
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
SMILESCCC(C)(OC)c1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-14(2,19-3)13-17-12(20-18-13)10-15(11-16)8-6-5-7-9-15/h4-11,16H2,1-3H3
InChIKeyNMWARGBMTNNUMV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164398
5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806335
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine (CID 116740484) is [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine is CCC(C)(OC)c1noc(CC2(CN)CCCCC2)n1.
What is the InChIKey of [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
The InChIKey is NMWARGBMTNNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-14(2,19-3)13-17-12(20-18-13)10-15(11-16)8-6-5-7-9-15/h4-11,16H2,1-3H3.
What are the key properties of [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine?
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 116740484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).