ethyl N'-ethyl-N-ethylidenecarbamimidate

C7H14N2O — CID 57002743

IUPACethyl N'-ethyl-N-ethylidenecarbamimidate
SMILESCC=N/C(=N\CC)OCC
InChIInChI=1S/C7H14N2O/c1-4-8-7(9-5-2)10-6-3/h4H,5-6H2,1-3H3/b8-4?,9-7+
InChIKeyDSPRDNTZZVHLNN-PUWXTNMLSA-N
MW142.20 g/mol
LogP1.49
Rot. Bonds2

About ethyl N'-ethyl-N-ethylidenecarbamimidate

ethyl N'-ethyl-N-ethylidenecarbamimidate (PubChem CID 57002743) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl N'-ethyl-N-ethylidenecarbamimidate.

Molecular Properties

Compound Nameethyl N'-ethyl-N-ethylidenecarbamimidate
PubChem CID57002743
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethyl N'-ethyl-N-ethylidenecarbamimidate
SMILESCC=N/C(=N\CC)OCC
InChIInChI=1S/C7H14N2O/c1-4-8-7(9-5-2)10-6-3/h4H,5-6H2,1-3H3/b8-4?,9-7+
InChIKeyDSPRDNTZZVHLNN-PUWXTNMLSA-N
XLogP1.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.49
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'-ethyl-N-ethylidenecarbamimidate?
The IUPAC name of ethyl N'-ethyl-N-ethylidenecarbamimidate (CID 57002743) is ethyl N'-ethyl-N-ethylidenecarbamimidate.
What is the SMILES notation for ethyl N'-ethyl-N-ethylidenecarbamimidate?
The canonical SMILES for ethyl N'-ethyl-N-ethylidenecarbamimidate is CC=N/C(=N\CC)OCC.
What is the InChIKey of ethyl N'-ethyl-N-ethylidenecarbamimidate?
The InChIKey is DSPRDNTZZVHLNN-PUWXTNMLSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-8-7(9-5-2)10-6-3/h4H,5-6H2,1-3H3/b8-4?,9-7+.
What are the key properties of ethyl N'-ethyl-N-ethylidenecarbamimidate?
ethyl N'-ethyl-N-ethylidenecarbamimidate has a molecular weight of 142.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-ethyl-N-ethylidenecarbamimidate is sourced from PubChem (CID 57002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).