N,N'-diethylmethanimidamide

C5H12N2 — CID 3350062

IUPACN,N'-diethylmethanimidamide
SMILESCC/N=C/NCC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7)
InChIKeyITRAGAZFCRSSBF-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.64
Rot. Bonds3

About N,N'-diethylmethanimidamide

N,N'-diethylmethanimidamide (PubChem CID 3350062) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N,N'-diethylmethanimidamide.

Molecular Properties

Compound NameN,N'-diethylmethanimidamide
PubChem CID3350062
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN,N'-diethylmethanimidamide
SMILESCC/N=C/NCC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7)
InChIKeyITRAGAZFCRSSBF-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.64
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'-diethylmethanimidamide?
The IUPAC name of N,N'-diethylmethanimidamide (CID 3350062) is N,N'-diethylmethanimidamide.
What is the SMILES notation for N,N'-diethylmethanimidamide?
The canonical SMILES for N,N'-diethylmethanimidamide is CC/N=C/NCC.
What is the InChIKey of N,N'-diethylmethanimidamide?
The InChIKey is ITRAGAZFCRSSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7).
What are the key properties of N,N'-diethylmethanimidamide?
N,N'-diethylmethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylmethanimidamide is sourced from PubChem (CID 3350062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).