ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate

C14H24N2O2 — CID 90330259

IUPACethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC2CCCCC2)n1C
InChIInChI=1S/C14H24N2O2/c1-4-18-14(17)13-11(2)16(15(13)3)10-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3
InChIKeySVCSKCNESLYSLP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.89
Rot. Bonds4

About ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate

ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate (PubChem CID 90330259) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate
PubChem CID90330259
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC2CCCCC2)n1C
InChIInChI=1S/C14H24N2O2/c1-4-18-14(17)13-11(2)16(15(13)3)10-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3
InChIKeySVCSKCNESLYSLP-UHFFFAOYSA-N
XLogP2.89
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylic acid
CID 90330261
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
ethyl 3-(cyclohexylmethyl)-5-methyl-1,2-dihydrotriazol-2-ium-4-carboxylate
CID 144678628
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 4-(cycloheptylsulfamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059325
ethyl 4-chlorosulfonyl-1-(cyclohexylmethyl)-5-methylpyrrole-2-carboxylate
CID 90036565
ethyl 4-(cyclobutylmethyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231515
ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
CID 102411878
ethyl 3-amino-4-(cycloheptylmethyl)benzoate
CID 158065347
ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619354
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 4-[cyclohexyl(ethyl)carbamoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954061

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate?
The IUPAC name of ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate (CID 90330259) is ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate is CCOC(=O)c1c(C)n(CC2CCCCC2)n1C.
What is the InChIKey of ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate?
The InChIKey is SVCSKCNESLYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-18-14(17)13-11(2)16(15(13)3)10-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate?
ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexylmethyl)-2,4-dimethyldiazete-3-carboxylate is sourced from PubChem (CID 90330259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).