4-(cycloheptylmethyl)-2,6-dimethylmorpholine

C14H27NO — CID 75430683

IUPAC4-(cycloheptylmethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC2CCCCCC2)CC(C)O1
InChIInChI=1S/C14H27NO/c1-12-9-15(10-13(2)16-12)11-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3
InChIKeyVBQHFDOBOVZFSJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.07
Rot. Bonds2

About 4-(cycloheptylmethyl)-2,6-dimethylmorpholine

4-(cycloheptylmethyl)-2,6-dimethylmorpholine (PubChem CID 75430683) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(cycloheptylmethyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(cycloheptylmethyl)-2,6-dimethylmorpholine
PubChem CID75430683
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(cycloheptylmethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC2CCCCCC2)CC(C)O1
InChIInChI=1S/C14H27NO/c1-12-9-15(10-13(2)16-12)11-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3
InChIKeyVBQHFDOBOVZFSJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(cycloheptylmethyl)-2,6-dimethylmorpholine (CID 75430683) is 4-(cycloheptylmethyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(cycloheptylmethyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(cycloheptylmethyl)-2,6-dimethylmorpholine is CC1CN(CC2CCCCCC2)CC(C)O1.
What is the InChIKey of 4-(cycloheptylmethyl)-2,6-dimethylmorpholine?
The InChIKey is VBQHFDOBOVZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-9-15(10-13(2)16-12)11-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(cycloheptylmethyl)-2,6-dimethylmorpholine?
4-(cycloheptylmethyl)-2,6-dimethylmorpholine has a molecular weight of 225.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 75430683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).