ethyl 2-(methylamino)-2-methyliminoethanimidate

C6H13N3O — CID 177040509

IUPACethyl 2-(methylamino)-2-methyliminoethanimidate
SMILES[H]/N=C(OCC)/C(=N/C)NC
InChIInChI=1S/C6H13N3O/c1-4-10-5(7)6(8-2)9-3/h7H,4H2,1-3H3,(H,8,9)/b7-5-
InChIKeyGRRQSQBWGRQNBH-ALCCZGGFSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About ethyl 2-(methylamino)-2-methyliminoethanimidate

ethyl 2-(methylamino)-2-methyliminoethanimidate (PubChem CID 177040509) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-methyliminoethanimidate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-methyliminoethanimidate
PubChem CID177040509
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Nameethyl 2-(methylamino)-2-methyliminoethanimidate
SMILES[H]/N=C(OCC)/C(=N/C)NC
InChIInChI=1S/C6H13N3O/c1-4-10-5(7)6(8-2)9-3/h7H,4H2,1-3H3,(H,8,9)/b7-5-
InChIKeyGRRQSQBWGRQNBH-ALCCZGGFSA-N
XLogP0.25
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
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 2-(methylamino)-2-methyliminoethanimidate?
The IUPAC name of ethyl 2-(methylamino)-2-methyliminoethanimidate (CID 177040509) is ethyl 2-(methylamino)-2-methyliminoethanimidate.
What is the SMILES notation for ethyl 2-(methylamino)-2-methyliminoethanimidate?
The canonical SMILES for ethyl 2-(methylamino)-2-methyliminoethanimidate is [H]/N=C(OCC)/C(=N/C)NC.
What is the InChIKey of ethyl 2-(methylamino)-2-methyliminoethanimidate?
The InChIKey is GRRQSQBWGRQNBH-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4-10-5(7)6(8-2)9-3/h7H,4H2,1-3H3,(H,8,9)/b7-5-.
What are the key properties of ethyl 2-(methylamino)-2-methyliminoethanimidate?
ethyl 2-(methylamino)-2-methyliminoethanimidate has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-methyliminoethanimidate is sourced from PubChem (CID 177040509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).