4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine

C18H35NO — CID 169436923

IUPAC4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine
SMILES[2H]C([2H])([2H])C1CN(C2CCCCCCCCCCC2)CC(C)O1
InChIInChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3/i1D3
InChIKeyJMXKCYUTURMERF-FIBGUPNXSA-N
MW284.50 g/mol
LogP4.77
Rot. Bonds2

About 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine

4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine (PubChem CID 169436923) has the molecular formula C18H35NO and a molecular weight of 284.50 g/mol. Its IUPAC name is 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine.

Molecular Properties

Compound Name4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine
PubChem CID169436923
Molecular FormulaC18H35NO
Molecular Weight284.50 g/mol
Exact Mass284.29
IUPAC Name4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine
SMILES[2H]C([2H])([2H])C1CN(C2CCCCCCCCCCC2)CC(C)O1
InChIInChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3/i1D3
InChIKeyJMXKCYUTURMERF-FIBGUPNXSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067
4-cyclodecyl-2,6-dimethylmorpholine acetate
CID 21278745
(4-cycloheptyl-6-methylmorpholin-2-yl)methanol
CID 102935879
2,6-dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
2-(4-cycloheptyl-6-methylmorpholin-2-yl)ethanamine
CID 82292821
1-cyclodecyl-3-methylazetidine
CID 155016918
4-cyclobutyl-2-ethyl-6-methylmorpholine
CID 131154192
2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride
CID 47000643
3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 156712366
(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594

Frequently Asked Questions

What is the IUPAC name of 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine?
The IUPAC name of 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine (CID 169436923) is 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine.
What is the SMILES notation for 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine?
The canonical SMILES for 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine is [2H]C([2H])([2H])C1CN(C2CCCCCCCCCCC2)CC(C)O1.
What is the InChIKey of 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine?
The InChIKey is JMXKCYUTURMERF-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3/i1D3.
What are the key properties of 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine?
4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine has a molecular weight of 284.50 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine is sourced from PubChem (CID 169436923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).