3-cycloheptylmorpholine

C11H21NO — CID 54058202

IUPAC3-cycloheptylmorpholine
SMILESC1CCCC(C2COCCN2)CC1
InChIInChI=1S/C11H21NO/c1-2-4-6-10(5-3-1)11-9-13-8-7-12-11/h10-12H,1-9H2
InChIKeySYEMRUWMXGITQZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds1

About 3-cycloheptylmorpholine

3-cycloheptylmorpholine (PubChem CID 54058202) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-cycloheptylmorpholine.

Molecular Properties

Compound Name3-cycloheptylmorpholine
PubChem CID54058202
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-cycloheptylmorpholine
SMILESC1CCCC(C2COCCN2)CC1
InChIInChI=1S/C11H21NO/c1-2-4-6-10(5-3-1)11-9-13-8-7-12-11/h10-12H,1-9H2
InChIKeySYEMRUWMXGITQZ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylmorpholine?
The IUPAC name of 3-cycloheptylmorpholine (CID 54058202) is 3-cycloheptylmorpholine.
What is the SMILES notation for 3-cycloheptylmorpholine?
The canonical SMILES for 3-cycloheptylmorpholine is C1CCCC(C2COCCN2)CC1.
What is the InChIKey of 3-cycloheptylmorpholine?
The InChIKey is SYEMRUWMXGITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-4-6-10(5-3-1)11-9-13-8-7-12-11/h10-12H,1-9H2.
What are the key properties of 3-cycloheptylmorpholine?
3-cycloheptylmorpholine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylmorpholine is sourced from PubChem (CID 54058202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).