N'-tert-butyl-N-ethylmethanediimine

C7H14N2 — CID 4594009

IUPACN'-tert-butyl-N-ethylmethanediimine
SMILESCCN=C=NC(C)(C)C
InChIInChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
InChIKeyAXTNYCDVWRSOCU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.98
Rot. Bonds1

About N'-tert-butyl-N-ethylmethanediimine

N'-tert-butyl-N-ethylmethanediimine (PubChem CID 4594009) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-tert-butyl-N-ethylmethanediimine.

Molecular Properties

Compound NameN'-tert-butyl-N-ethylmethanediimine
PubChem CID4594009
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-tert-butyl-N-ethylmethanediimine
SMILESCCN=C=NC(C)(C)C
InChIInChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
InChIKeyAXTNYCDVWRSOCU-UHFFFAOYSA-N
XLogP1.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-ethylmethanediimine?
The IUPAC name of N'-tert-butyl-N-ethylmethanediimine (CID 4594009) is N'-tert-butyl-N-ethylmethanediimine.
What is the SMILES notation for N'-tert-butyl-N-ethylmethanediimine?
The canonical SMILES for N'-tert-butyl-N-ethylmethanediimine is CCN=C=NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-ethylmethanediimine?
The InChIKey is AXTNYCDVWRSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3.
What are the key properties of N'-tert-butyl-N-ethylmethanediimine?
N'-tert-butyl-N-ethylmethanediimine has a molecular weight of 126.20 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-ethylmethanediimine is sourced from PubChem (CID 4594009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).