4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine

C13H21NO — CID 70910333

IUPAC4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1(C)C=CC(CN2CCOCC2)=CC1
InChIInChI=1S/C13H21NO/c1-13(2)5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-5H,6-11H2,1-2H3
InChIKeyVPELJGBDVIVKBJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds2

About 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine

4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine (PubChem CID 70910333) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine
PubChem CID70910333
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1(C)C=CC(CN2CCOCC2)=CC1
InChIInChI=1S/C13H21NO/c1-13(2)5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-5H,6-11H2,1-2H3
InChIKeyVPELJGBDVIVKBJ-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine (CID 70910333) is 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine is CC1(C)C=CC(CN2CCOCC2)=CC1.
What is the InChIKey of 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The InChIKey is VPELJGBDVIVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-5H,6-11H2,1-2H3.
What are the key properties of 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 70910333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).