N'-butyl-N-ethylmethanediimine

C7H14N2 — CID 22149521

IUPACN'-butyl-N-ethylmethanediimine
SMILESCCCCN=C=NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3-6H2,1-2H3
InChIKeySGLQGNKSHPWRPV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.98
Rot. Bonds4

About N'-butyl-N-ethylmethanediimine

N'-butyl-N-ethylmethanediimine (PubChem CID 22149521) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-butyl-N-ethylmethanediimine.

Molecular Properties

Compound NameN'-butyl-N-ethylmethanediimine
PubChem CID22149521
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-butyl-N-ethylmethanediimine
SMILESCCCCN=C=NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3-6H2,1-2H3
InChIKeySGLQGNKSHPWRPV-UHFFFAOYSA-N
XLogP1.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethylmethanediimine?
The IUPAC name of N'-butyl-N-ethylmethanediimine (CID 22149521) is N'-butyl-N-ethylmethanediimine.
What is the SMILES notation for N'-butyl-N-ethylmethanediimine?
The canonical SMILES for N'-butyl-N-ethylmethanediimine is CCCCN=C=NCC.
What is the InChIKey of N'-butyl-N-ethylmethanediimine?
The InChIKey is SGLQGNKSHPWRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3-6H2,1-2H3.
What are the key properties of N'-butyl-N-ethylmethanediimine?
N'-butyl-N-ethylmethanediimine has a molecular weight of 126.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethylmethanediimine is sourced from PubChem (CID 22149521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).