N-propyl-2-(2-propyliminoethoxy)ethanimine

C10H20N2O — CID 57092738

IUPACN-propyl-2-(2-propyliminoethoxy)ethanimine
SMILESCCC/N=C/COC/C=N/CCC
InChIInChI=1S/C10H20N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyWKUGEQDQBYJUAF-MKICQXMISA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds8

About N-propyl-2-(2-propyliminoethoxy)ethanimine

N-propyl-2-(2-propyliminoethoxy)ethanimine (PubChem CID 57092738) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-propyl-2-(2-propyliminoethoxy)ethanimine.

Molecular Properties

Compound NameN-propyl-2-(2-propyliminoethoxy)ethanimine
PubChem CID57092738
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-propyl-2-(2-propyliminoethoxy)ethanimine
SMILESCCC/N=C/COC/C=N/CCC
InChIInChI=1S/C10H20N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyWKUGEQDQBYJUAF-MKICQXMISA-N
XLogP1.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
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-propyl-2-(2-propyliminoethoxy)ethanimine?
The IUPAC name of N-propyl-2-(2-propyliminoethoxy)ethanimine (CID 57092738) is N-propyl-2-(2-propyliminoethoxy)ethanimine.
What is the SMILES notation for N-propyl-2-(2-propyliminoethoxy)ethanimine?
The canonical SMILES for N-propyl-2-(2-propyliminoethoxy)ethanimine is CCC/N=C/COC/C=N/CCC.
What is the InChIKey of N-propyl-2-(2-propyliminoethoxy)ethanimine?
The InChIKey is WKUGEQDQBYJUAF-MKICQXMISA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+.
What are the key properties of N-propyl-2-(2-propyliminoethoxy)ethanimine?
N-propyl-2-(2-propyliminoethoxy)ethanimine has a molecular weight of 184.28 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2-propyliminoethoxy)ethanimine is sourced from PubChem (CID 57092738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).