N,N'-diethyl-N-methylethanimidamide

C7H16N2 — CID 130267783

IUPACN,N'-diethyl-N-methylethanimidamide
SMILESCC/N=C(\C)N(C)CC
InChIInChI=1S/C7H16N2/c1-5-8-7(3)9(4)6-2/h5-6H2,1-4H3/b8-7+
InChIKeyHPXOVAZBIUNVQA-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.38
Rot. Bonds2

About N,N'-diethyl-N-methylethanimidamide

N,N'-diethyl-N-methylethanimidamide (PubChem CID 130267783) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N'-diethyl-N-methylethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-methylethanimidamide
PubChem CID130267783
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N'-diethyl-N-methylethanimidamide
SMILESCC/N=C(\C)N(C)CC
InChIInChI=1S/C7H16N2/c1-5-8-7(3)9(4)6-2/h5-6H2,1-4H3/b8-7+
InChIKeyHPXOVAZBIUNVQA-BQYQJAHWSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N'-diethyl-N-methylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N-methylethanimidamide?
The IUPAC name of N,N'-diethyl-N-methylethanimidamide (CID 130267783) is N,N'-diethyl-N-methylethanimidamide.
What is the SMILES notation for N,N'-diethyl-N-methylethanimidamide?
The canonical SMILES for N,N'-diethyl-N-methylethanimidamide is CC/N=C(\C)N(C)CC.
What is the InChIKey of N,N'-diethyl-N-methylethanimidamide?
The InChIKey is HPXOVAZBIUNVQA-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-8-7(3)9(4)6-2/h5-6H2,1-4H3/b8-7+.
What are the key properties of N,N'-diethyl-N-methylethanimidamide?
N,N'-diethyl-N-methylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-methylethanimidamide is sourced from PubChem (CID 130267783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).