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

C12H21N3O2 — CID 68997154

IUPAC1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOCc1noc(CNCC2CCCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-16-9-11-14-12(17-15-11)8-13-7-10-5-3-2-4-6-10/h10,13H,2-9H2,1H3
InChIKeyCDZWHIQADYORIH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.89
Rot. Bonds6

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

1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 68997154) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID68997154
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOCc1noc(CNCC2CCCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-16-9-11-14-12(17-15-11)8-13-7-10-5-3-2-4-6-10/h10,13H,2-9H2,1H3
InChIKeyCDZWHIQADYORIH-UHFFFAOYSA-N
XLogP1.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 68997154) is 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is COCc1noc(CNCC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is CDZWHIQADYORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-16-9-11-14-12(17-15-11)8-13-7-10-5-3-2-4-6-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 68997154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).