N-(2-chloroethyl)-1-cyclohexylethanamine

C10H20ClN — CID 18316242

IUPACN-(2-chloroethyl)-1-cyclohexylethanamine
SMILESCC(NCCCl)C1CCCCC1
InChIInChI=1S/C10H20ClN/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyQEGVSCLIRJYMCY-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.78
Rot. Bonds4

About N-(2-chloroethyl)-1-cyclohexylethanamine

N-(2-chloroethyl)-1-cyclohexylethanamine (PubChem CID 18316242) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-cyclohexylethanamine
PubChem CID18316242
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-(2-chloroethyl)-1-cyclohexylethanamine
SMILESCC(NCCCl)C1CCCCC1
InChIInChI=1S/C10H20ClN/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyQEGVSCLIRJYMCY-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-1-cyclohexylethanamine 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-(2-chloroethyl)-1-cyclohexylethanamine?
The IUPAC name of N-(2-chloroethyl)-1-cyclohexylethanamine (CID 18316242) is N-(2-chloroethyl)-1-cyclohexylethanamine.
What is the SMILES notation for N-(2-chloroethyl)-1-cyclohexylethanamine?
The canonical SMILES for N-(2-chloroethyl)-1-cyclohexylethanamine is CC(NCCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-1-cyclohexylethanamine?
The InChIKey is QEGVSCLIRJYMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-1-cyclohexylethanamine?
N-(2-chloroethyl)-1-cyclohexylethanamine has a molecular weight of 189.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-cyclohexylethanamine is sourced from PubChem (CID 18316242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).