tert-butyl 2-(cyclohexylmethylideneamino)acetate

C13H23NO2 — CID 19709583

IUPACtert-butyl 2-(cyclohexylmethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3/b14-9+
InChIKeyVOFFPCJLFQREDL-NTEUORMPSA-N
MW225.33 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl 2-(cyclohexylmethylideneamino)acetate

tert-butyl 2-(cyclohexylmethylideneamino)acetate (PubChem CID 19709583) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexylmethylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexylmethylideneamino)acetate
PubChem CID19709583
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 2-(cyclohexylmethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3/b14-9+
InChIKeyVOFFPCJLFQREDL-NTEUORMPSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.98
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-(cyclohexylmethylideneamino)acetate?
The IUPAC name of tert-butyl 2-(cyclohexylmethylideneamino)acetate (CID 19709583) is tert-butyl 2-(cyclohexylmethylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclohexylmethylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclohexylmethylideneamino)acetate is CC(C)(C)OC(=O)C/N=C/C1CCCCC1.
What is the InChIKey of tert-butyl 2-(cyclohexylmethylideneamino)acetate?
The InChIKey is VOFFPCJLFQREDL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)10-14-9-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3/b14-9+.
What are the key properties of tert-butyl 2-(cyclohexylmethylideneamino)acetate?
tert-butyl 2-(cyclohexylmethylideneamino)acetate has a molecular weight of 225.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexylmethylideneamino)acetate is sourced from PubChem (CID 19709583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).