methyl N'-ethyl-N-ethylidenecarbamimidate

C6H12N2O — CID 174088080

IUPACmethyl N'-ethyl-N-ethylidenecarbamimidate
SMILESCC=N/C(=N/CC)OC
InChIInChI=1S/C6H12N2O/c1-4-7-6(9-3)8-5-2/h4H,5H2,1-3H3/b7-4?,8-6-
InChIKeyNKUODYUCZPPREC-IUGUQSBUSA-N
MW128.17 g/mol
LogP1.10
Rot. Bonds1

About methyl N'-ethyl-N-ethylidenecarbamimidate

methyl N'-ethyl-N-ethylidenecarbamimidate (PubChem CID 174088080) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is methyl N'-ethyl-N-ethylidenecarbamimidate.

Molecular Properties

Compound Namemethyl N'-ethyl-N-ethylidenecarbamimidate
PubChem CID174088080
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Namemethyl N'-ethyl-N-ethylidenecarbamimidate
SMILESCC=N/C(=N/CC)OC
InChIInChI=1S/C6H12N2O/c1-4-7-6(9-3)8-5-2/h4H,5H2,1-3H3/b7-4?,8-6-
InChIKeyNKUODYUCZPPREC-IUGUQSBUSA-N
XLogP1.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.10
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 methyl N'-ethyl-N-ethylidenecarbamimidate?
The IUPAC name of methyl N'-ethyl-N-ethylidenecarbamimidate (CID 174088080) is methyl N'-ethyl-N-ethylidenecarbamimidate.
What is the SMILES notation for methyl N'-ethyl-N-ethylidenecarbamimidate?
The canonical SMILES for methyl N'-ethyl-N-ethylidenecarbamimidate is CC=N/C(=N/CC)OC.
What is the InChIKey of methyl N'-ethyl-N-ethylidenecarbamimidate?
The InChIKey is NKUODYUCZPPREC-IUGUQSBUSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-7-6(9-3)8-5-2/h4H,5H2,1-3H3/b7-4?,8-6-.
What are the key properties of methyl N'-ethyl-N-ethylidenecarbamimidate?
methyl N'-ethyl-N-ethylidenecarbamimidate has a molecular weight of 128.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethyl-N-ethylidenecarbamimidate is sourced from PubChem (CID 174088080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).