4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine

C12H19NO — CID 168998878

IUPAC4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=CC(C2CN(C)CCO2)=CC1
InChIInChI=1S/C12H19NO/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12/h3,5-6,10,12H,4,7-9H2,1-2H3
InChIKeyNBTBUZCXRSHYKK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds1

About 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine

4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 168998878) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine
PubChem CID168998878
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=CC(C2CN(C)CCO2)=CC1
InChIInChI=1S/C12H19NO/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12/h3,5-6,10,12H,4,7-9H2,1-2H3
InChIKeyNBTBUZCXRSHYKK-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine (CID 168998878) is 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine is CC1C=CC(C2CN(C)CCO2)=CC1.
What is the InChIKey of 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is NBTBUZCXRSHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12/h3,5-6,10,12H,4,7-9H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine?
4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 193.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 168998878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).