N,N'-diethylethanimidamide

C6H14N2 — CID 22639481

IUPACN,N'-diethylethanimidamide
SMILESCC/N=C(\C)NCC
InChIInChI=1S/C6H14N2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3,(H,7,8)
InChIKeyIHJKBAFLNCXGLC-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.03
Rot. Bonds2

About N,N'-diethylethanimidamide

N,N'-diethylethanimidamide (PubChem CID 22639481) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N,N'-diethylethanimidamide.

Molecular Properties

Compound NameN,N'-diethylethanimidamide
PubChem CID22639481
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN,N'-diethylethanimidamide
SMILESCC/N=C(\C)NCC
InChIInChI=1S/C6H14N2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3,(H,7,8)
InChIKeyIHJKBAFLNCXGLC-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N,N'-diethylethanimidamide?
The IUPAC name of N,N'-diethylethanimidamide (CID 22639481) is N,N'-diethylethanimidamide.
What is the SMILES notation for N,N'-diethylethanimidamide?
The canonical SMILES for N,N'-diethylethanimidamide is CC/N=C(\C)NCC.
What is the InChIKey of N,N'-diethylethanimidamide?
The InChIKey is IHJKBAFLNCXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-7-6(3)8-5-2/h4-5H2,1-3H3,(H,7,8).
What are the key properties of N,N'-diethylethanimidamide?
N,N'-diethylethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylethanimidamide is sourced from PubChem (CID 22639481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).