ethyl 2-(cyclohexylmethylideneamino)acetate

C11H19NO2 — CID 11106305

IUPACethyl 2-(cyclohexylmethylideneamino)acetate
SMILESCCOC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3/b12-8+
InChIKeyWMAIWSKEPGVANB-XYOKQWHBSA-N
MW197.28 g/mol
LogP2.20
Rot. Bonds4

About ethyl 2-(cyclohexylmethylideneamino)acetate

ethyl 2-(cyclohexylmethylideneamino)acetate (PubChem CID 11106305) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-(cyclohexylmethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylmethylideneamino)acetate
PubChem CID11106305
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-(cyclohexylmethylideneamino)acetate
SMILESCCOC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3/b12-8+
InChIKeyWMAIWSKEPGVANB-XYOKQWHBSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.20
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 ethyl 2-(cyclohexylmethylideneamino)acetate?
The IUPAC name of ethyl 2-(cyclohexylmethylideneamino)acetate (CID 11106305) is ethyl 2-(cyclohexylmethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(cyclohexylmethylideneamino)acetate?
The canonical SMILES for ethyl 2-(cyclohexylmethylideneamino)acetate is CCOC(=O)C/N=C/C1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylmethylideneamino)acetate?
The InChIKey is WMAIWSKEPGVANB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3/b12-8+.
What are the key properties of ethyl 2-(cyclohexylmethylideneamino)acetate?
ethyl 2-(cyclohexylmethylideneamino)acetate has a molecular weight of 197.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylmethylideneamino)acetate is sourced from PubChem (CID 11106305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).