tert-butyl 2-(2-cyclohexylethylideneamino)acetate

C14H25NO2 — CID 59249324

IUPACtert-butyl 2-(2-cyclohexylethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h10,12H,4-9,11H2,1-3H3/b15-10+
InChIKeyNWFDUFDVGPIMKP-XNTDXEJSSA-N
MW239.36 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl 2-(2-cyclohexylethylideneamino)acetate

tert-butyl 2-(2-cyclohexylethylideneamino)acetate (PubChem CID 59249324) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexylethylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclohexylethylideneamino)acetate
PubChem CID59249324
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 2-(2-cyclohexylethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h10,12H,4-9,11H2,1-3H3/b15-10+
InChIKeyNWFDUFDVGPIMKP-XNTDXEJSSA-N
XLogP3.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclohexylethylideneamino)acetate?
The IUPAC name of tert-butyl 2-(2-cyclohexylethylideneamino)acetate (CID 59249324) is tert-butyl 2-(2-cyclohexylethylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclohexylethylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclohexylethylideneamino)acetate is CC(C)(C)OC(=O)C/N=C/CC1CCCCC1.
What is the InChIKey of tert-butyl 2-(2-cyclohexylethylideneamino)acetate?
The InChIKey is NWFDUFDVGPIMKP-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h10,12H,4-9,11H2,1-3H3/b15-10+.
What are the key properties of tert-butyl 2-(2-cyclohexylethylideneamino)acetate?
tert-butyl 2-(2-cyclohexylethylideneamino)acetate has a molecular weight of 239.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclohexylethylideneamino)acetate is sourced from PubChem (CID 59249324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).