ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate

C10H19NO3 — CID 54180408

IUPACethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate
SMILESCCOC(=O)N=C(OCC)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-13-8(10(3,4)5)11-9(12)14-7-2/h6-7H2,1-5H3
InChIKeyPBJMRLUEZWPAMT-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds2

About ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate

ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate (PubChem CID 54180408) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate.

Molecular Properties

Compound Nameethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate
PubChem CID54180408
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate
SMILESCCOC(=O)N=C(OCC)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-13-8(10(3,4)5)11-9(12)14-7-2/h6-7H2,1-5H3
InChIKeyPBJMRLUEZWPAMT-UHFFFAOYSA-N
XLogP2.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate?
The IUPAC name of ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate (CID 54180408) is ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate.
What is the SMILES notation for ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate?
The canonical SMILES for ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate is CCOC(=O)N=C(OCC)C(C)(C)C.
What is the InChIKey of ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate?
The InChIKey is PBJMRLUEZWPAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-13-8(10(3,4)5)11-9(12)14-7-2/h6-7H2,1-5H3.
What are the key properties of ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate?
ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate has a molecular weight of 201.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxycarbonyl-2,2-dimethylpropanimidate is sourced from PubChem (CID 54180408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).