(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine

C14H26BrNO — CID 104959997

IUPAC(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2(CBr)CCCCC2)C[C@H](C)O1
InChIInChI=1S/C14H26BrNO/c1-12-8-16(9-13(2)17-12)11-14(10-15)6-4-3-5-7-14/h12-13H,3-11H2,1-2H3/t12-,13+
InChIKeyATJGBUVOWOJOTL-BETUJISGSA-N
MW304.27 g/mol
LogP3.44
Rot. Bonds3

About (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine (PubChem CID 104959997) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
PubChem CID104959997
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2(CBr)CCCCC2)C[C@H](C)O1
InChIInChI=1S/C14H26BrNO/c1-12-8-16(9-13(2)17-12)11-14(10-15)6-4-3-5-7-14/h12-13H,3-11H2,1-2H3/t12-,13+
InChIKeyATJGBUVOWOJOTL-BETUJISGSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine (CID 104959997) is (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(CC2(CBr)CCCCC2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is ATJGBUVOWOJOTL-BETUJISGSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12-8-16(9-13(2)17-12)11-14(10-15)6-4-3-5-7-14/h12-13H,3-11H2,1-2H3/t12-,13+.
What are the key properties of (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 304.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 104959997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).