ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine

C15H25NO — CID 143263423

IUPACethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine
SMILESCC.CC1=CC=C(CN2CCOCC2)C=CC1
InChIInChI=1S/C13H19NO.C2H6/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3
InChIKeyRACWDDSILRPHAX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds2

About ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine

ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine (PubChem CID 143263423) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine
PubChem CID143263423
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine
SMILESCC.CC1=CC=C(CN2CCOCC2)C=CC1
InChIInChI=1S/C13H19NO.C2H6/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3
InChIKeyRACWDDSILRPHAX-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine?
The IUPAC name of ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine (CID 143263423) is ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine.
What is the SMILES notation for ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine?
The canonical SMILES for ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine is CC.CC1=CC=C(CN2CCOCC2)C=CC1.
What is the InChIKey of ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine?
The InChIKey is RACWDDSILRPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3.
What are the key properties of ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine?
ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]morpholine is sourced from PubChem (CID 143263423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).