4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine

C14H26ClNO — CID 123961703

IUPAC4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine
SMILESCCC1CN(C2CCCCC2CCl)CC(C)O1
InChIInChI=1S/C14H26ClNO/c1-3-13-10-16(9-11(2)17-13)14-7-5-4-6-12(14)8-15/h11-14H,3-10H2,1-2H3
InChIKeyVHNQFPUDCXPHAC-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.28
Rot. Bonds3

About 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine

4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine (PubChem CID 123961703) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine
PubChem CID123961703
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine
SMILESCCC1CN(C2CCCCC2CCl)CC(C)O1
InChIInChI=1S/C14H26ClNO/c1-3-13-10-16(9-11(2)17-13)14-7-5-4-6-12(14)8-15/h11-14H,3-10H2,1-2H3
InChIKeyVHNQFPUDCXPHAC-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclobutyl-2-ethyl-6-methylmorpholine
CID 131154192
(4-cycloheptyl-6-methylmorpholin-2-yl)methanol
CID 102935879
[4-(2-ethylcyclohexyl)morpholin-2-yl]methanol
CID 81219544
2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine
CID 102936632
2-(4-cycloheptyl-6-methylmorpholin-2-yl)ethanamine
CID 82292821
2-(2,6-dimethylmorpholin-4-yl)-4-ethylcyclohexan-1-amine
CID 16794711
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627
[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
CID 102932236
(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine (CID 123961703) is 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine is CCC1CN(C2CCCCC2CCl)CC(C)O1.
What is the InChIKey of 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine?
The InChIKey is VHNQFPUDCXPHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-3-13-10-16(9-11(2)17-13)14-7-5-4-6-12(14)8-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine?
4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine has a molecular weight of 259.82 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine is sourced from PubChem (CID 123961703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).