N-butyl-2-(2-butyliminoethoxy)ethanimine

C12H24N2O — CID 57192463

IUPACN-butyl-2-(2-butyliminoethoxy)ethanimine
SMILESCCCC/N=C/COC/C=N/CCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyPQUJLFYLBWDROO-UTLPMFLDSA-N
MW212.34 g/mol
LogP2.74
Rot. Bonds10

About N-butyl-2-(2-butyliminoethoxy)ethanimine

N-butyl-2-(2-butyliminoethoxy)ethanimine (PubChem CID 57192463) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-butyl-2-(2-butyliminoethoxy)ethanimine.

Molecular Properties

Compound NameN-butyl-2-(2-butyliminoethoxy)ethanimine
PubChem CID57192463
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-butyl-2-(2-butyliminoethoxy)ethanimine
SMILESCCCC/N=C/COC/C=N/CCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyPQUJLFYLBWDROO-UTLPMFLDSA-N
XLogP2.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2-(2-butyliminoethoxy)ethanimine?
The IUPAC name of N-butyl-2-(2-butyliminoethoxy)ethanimine (CID 57192463) is N-butyl-2-(2-butyliminoethoxy)ethanimine.
What is the SMILES notation for N-butyl-2-(2-butyliminoethoxy)ethanimine?
The canonical SMILES for N-butyl-2-(2-butyliminoethoxy)ethanimine is CCCC/N=C/COC/C=N/CCCC.
What is the InChIKey of N-butyl-2-(2-butyliminoethoxy)ethanimine?
The InChIKey is PQUJLFYLBWDROO-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+.
What are the key properties of N-butyl-2-(2-butyliminoethoxy)ethanimine?
N-butyl-2-(2-butyliminoethoxy)ethanimine has a molecular weight of 212.34 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-butyliminoethoxy)ethanimine is sourced from PubChem (CID 57192463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).