N-propan-2-yloxycyclohexanimine

C9H17NO — CID 23466974

IUPACN-propan-2-yloxycyclohexanimine
SMILESCC(C)ON=C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(2)11-10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyRTKUIACCZOETED-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.73
Rot. Bonds2

About N-propan-2-yloxycyclohexanimine

N-propan-2-yloxycyclohexanimine (PubChem CID 23466974) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-propan-2-yloxycyclohexanimine.

Molecular Properties

Compound NameN-propan-2-yloxycyclohexanimine
PubChem CID23466974
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-propan-2-yloxycyclohexanimine
SMILESCC(C)ON=C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(2)11-10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyRTKUIACCZOETED-UHFFFAOYSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.73
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-propan-2-yloxycyclohexanimine 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-propan-2-yloxycyclohexanimine?
The IUPAC name of N-propan-2-yloxycyclohexanimine (CID 23466974) is N-propan-2-yloxycyclohexanimine.
What is the SMILES notation for N-propan-2-yloxycyclohexanimine?
The canonical SMILES for N-propan-2-yloxycyclohexanimine is CC(C)ON=C1CCCCC1.
What is the InChIKey of N-propan-2-yloxycyclohexanimine?
The InChIKey is RTKUIACCZOETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)11-10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yloxycyclohexanimine?
N-propan-2-yloxycyclohexanimine has a molecular weight of 155.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxycyclohexanimine is sourced from PubChem (CID 23466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).