ethyl N-ethylethanimidate

C6H13NO — CID 24974690

IUPACethyl N-ethylethanimidate
SMILESCC/N=C(\C)OCC
InChIInChI=1S/C6H13NO/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3/b7-6+
InChIKeyBFLPCFBHHYSHDN-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.46
Rot. Bonds2

About ethyl N-ethylethanimidate

ethyl N-ethylethanimidate (PubChem CID 24974690) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is ethyl N-ethylethanimidate.

Molecular Properties

Compound Nameethyl N-ethylethanimidate
PubChem CID24974690
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameethyl N-ethylethanimidate
SMILESCC/N=C(\C)OCC
InChIInChI=1S/C6H13NO/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3/b7-6+
InChIKeyBFLPCFBHHYSHDN-VOTSOKGWSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylethanimidate?
The IUPAC name of ethyl N-ethylethanimidate (CID 24974690) is ethyl N-ethylethanimidate.
What is the SMILES notation for ethyl N-ethylethanimidate?
The canonical SMILES for ethyl N-ethylethanimidate is CC/N=C(\C)OCC.
What is the InChIKey of ethyl N-ethylethanimidate?
The InChIKey is BFLPCFBHHYSHDN-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3/b7-6+.
What are the key properties of ethyl N-ethylethanimidate?
ethyl N-ethylethanimidate has a molecular weight of 115.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylethanimidate is sourced from PubChem (CID 24974690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).