N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide

C6H12N2O — CID 90250333

IUPACN'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide
SMILESCC/N=C/N(C)CC=O
InChIInChI=1S/C6H12N2O/c1-3-7-6-8(2)4-5-9/h5-6H,3-4H2,1-2H3/b7-6+
InChIKeySRPFOANAKYQBRL-VOTSOKGWSA-N
MW128.17 g/mol
LogP0.17
Rot. Bonds4

About N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide

N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide (PubChem CID 90250333) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide
PubChem CID90250333
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide
SMILESCC/N=C/N(C)CC=O
InChIInChI=1S/C6H12N2O/c1-3-7-6-8(2)4-5-9/h5-6H,3-4H2,1-2H3/b7-6+
InChIKeySRPFOANAKYQBRL-VOTSOKGWSA-N
XLogP0.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide?
The IUPAC name of N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide (CID 90250333) is N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide.
What is the SMILES notation for N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide?
The canonical SMILES for N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide is CC/N=C/N(C)CC=O.
What is the InChIKey of N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide?
The InChIKey is SRPFOANAKYQBRL-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-7-6-8(2)4-5-9/h5-6H,3-4H2,1-2H3/b7-6+.
What are the key properties of N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide?
N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide has a molecular weight of 128.17 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N-(2-oxoethyl)methanimidamide is sourced from PubChem (CID 90250333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).