N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine

C12H24ClNO — CID 63665894

IUPACN-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
SMILESCCN(CCOCCCl)C1CCCCC1
InChIInChI=1S/C12H24ClNO/c1-2-14(9-11-15-10-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyODDQJGHTDZEFOV-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine

N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine (PubChem CID 63665894) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
PubChem CID63665894
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
SMILESCCN(CCOCCCl)C1CCCCC1
InChIInChI=1S/C12H24ClNO/c1-2-14(9-11-15-10-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyODDQJGHTDZEFOV-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine (CID 63665894) is N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine is CCN(CCOCCCl)C1CCCCC1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine?
The InChIKey is ODDQJGHTDZEFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-2-14(9-11-15-10-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine?
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 63665894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).