ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate

C12H21NO2 — CID 144641282

IUPACethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate
SMILESCCOC(=O)C/N=C1\CCC(C)CC1C
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)8-13-11-6-5-9(2)7-10(11)3/h9-10H,4-8H2,1-3H3/b13-11+
InChIKeyUEKWXGFHABOYHT-ACCUITESSA-N
MW211.30 g/mol
LogP2.45
Rot. Bonds3

About ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate

ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate (PubChem CID 144641282) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate
PubChem CID144641282
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate
SMILESCCOC(=O)C/N=C1\CCC(C)CC1C
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)8-13-11-6-5-9(2)7-10(11)3/h9-10H,4-8H2,1-3H3/b13-11+
InChIKeyUEKWXGFHABOYHT-ACCUITESSA-N
XLogP2.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(cyclohexylmethylideneamino)acetate
CID 11480853
Ethyl 2-(2-ethylhexylideneamino)acetate
CID 132471480
Ethyl 2-(dicyclohexylmethylideneamino)acetate
CID 141909115
Ethyl 2-(cyclohexylmethylideneamino)propanoate;tungsten(2+)
CID 145814390
Ethyl 2-(cyclohexylmethylideneamino)propanoate
CID 145814391
Ethyl 2-(cyclohexylmethylideneamino)acetate
CID 11106305
ethyl (2S)-2-(cyclohexylmethylideneamino)propanoate
CID 101096903
ethyl (2S)-3-methyl-2-[(2-methylcyclohexylidene)amino]butanoate
CID 101179666
methyl 2-[[(1S,3R)-3-methylcyclohexyl]methylideneamino]propanoate
CID 141965959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate (CID 144641282) is ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate is CCOC(=O)C/N=C1\CCC(C)CC1C.
What is the InChIKey of ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate?
The InChIKey is UEKWXGFHABOYHT-ACCUITESSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-15-12(14)8-13-11-6-5-9(2)7-10(11)3/h9-10H,4-8H2,1-3H3/b13-11+.
What are the key properties of ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate?
ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate has a molecular weight of 211.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate is sourced from PubChem (CID 144641282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).