4-(3,5,5-trimethylcyclohexen-1-yl)morpholine

C13H23NO — CID 12725341

IUPAC4-(3,5,5-trimethylcyclohexen-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-11-8-12(10-13(2,3)9-11)14-4-6-15-7-5-14/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXICJMYKIMSNGSS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.66
Rot. Bonds1

About 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine

4-(3,5,5-trimethylcyclohexen-1-yl)morpholine (PubChem CID 12725341) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,5,5-trimethylcyclohexen-1-yl)morpholine
PubChem CID12725341
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(3,5,5-trimethylcyclohexen-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-11-8-12(10-13(2,3)9-11)14-4-6-15-7-5-14/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXICJMYKIMSNGSS-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine?
The IUPAC name of 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine (CID 12725341) is 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine.
What is the SMILES notation for 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine?
The canonical SMILES for 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine is CC1C=C(N2CCOCC2)CC(C)(C)C1.
What is the InChIKey of 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine?
The InChIKey is XICJMYKIMSNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-8-12(10-13(2,3)9-11)14-4-6-15-7-5-14/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine?
4-(3,5,5-trimethylcyclohexen-1-yl)morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5,5-trimethylcyclohexen-1-yl)morpholine is sourced from PubChem (CID 12725341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).