N-ethoxycyclohexanimine

C8H15NO — CID 574708

IUPACN-ethoxycyclohexanimine
SMILESCCON=C1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-10-9-8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyPBVMGBAZXXCHTA-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.34
Rot. Bonds2

About N-ethoxycyclohexanimine

N-ethoxycyclohexanimine (PubChem CID 574708) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethoxycyclohexanimine.

Molecular Properties

Compound NameN-ethoxycyclohexanimine
PubChem CID574708
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethoxycyclohexanimine
SMILESCCON=C1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-10-9-8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyPBVMGBAZXXCHTA-UHFFFAOYSA-N
XLogP2.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.34
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-ethoxycyclohexanimine 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-ethoxycyclohexanimine?
The IUPAC name of N-ethoxycyclohexanimine (CID 574708) is N-ethoxycyclohexanimine.
What is the SMILES notation for N-ethoxycyclohexanimine?
The canonical SMILES for N-ethoxycyclohexanimine is CCON=C1CCCCC1.
What is the InChIKey of N-ethoxycyclohexanimine?
The InChIKey is PBVMGBAZXXCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-9-8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of N-ethoxycyclohexanimine?
N-ethoxycyclohexanimine has a molecular weight of 141.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxycyclohexanimine is sourced from PubChem (CID 574708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).