N-ethoxybutan-2-imine

C6H13NO — CID 54202913

IUPACN-ethoxybutan-2-imine
SMILESCCON=C(C)CC
InChIInChI=1S/C6H13NO/c1-4-6(3)7-8-5-2/h4-5H2,1-3H3
InChIKeyCUALOUWRUQJEIP-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.81
Rot. Bonds3

About N-ethoxybutan-2-imine

N-ethoxybutan-2-imine (PubChem CID 54202913) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-ethoxybutan-2-imine.

Molecular Properties

Compound NameN-ethoxybutan-2-imine
PubChem CID54202913
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-ethoxybutan-2-imine
SMILESCCON=C(C)CC
InChIInChI=1S/C6H13NO/c1-4-6(3)7-8-5-2/h4-5H2,1-3H3
InChIKeyCUALOUWRUQJEIP-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethoxybutan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethoxybutan-2-imine?
The IUPAC name of N-ethoxybutan-2-imine (CID 54202913) is N-ethoxybutan-2-imine.
What is the SMILES notation for N-ethoxybutan-2-imine?
The canonical SMILES for N-ethoxybutan-2-imine is CCON=C(C)CC.
What is the InChIKey of N-ethoxybutan-2-imine?
The InChIKey is CUALOUWRUQJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(3)7-8-5-2/h4-5H2,1-3H3.
What are the key properties of N-ethoxybutan-2-imine?
N-ethoxybutan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxybutan-2-imine is sourced from PubChem (CID 54202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).