4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine

C16H27NO — CID 90985432

IUPAC4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine
SMILESCCC1=CCCCC(CN2CCOCC2)=C1CC
InChIInChI=1S/C16H27NO/c1-3-14-7-5-6-8-15(16(14)4-2)13-17-9-11-18-12-10-17/h7H,3-6,8-13H2,1-2H3
InChIKeyAZLDMXCSXBHSCG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.55
Rot. Bonds4

About 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine

4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine (PubChem CID 90985432) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine
PubChem CID90985432
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine
SMILESCCC1=CCCCC(CN2CCOCC2)=C1CC
InChIInChI=1S/C16H27NO/c1-3-14-7-5-6-8-15(16(14)4-2)13-17-9-11-18-12-10-17/h7H,3-6,8-13H2,1-2H3
InChIKeyAZLDMXCSXBHSCG-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine (CID 90985432) is 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine is CCC1=CCCCC(CN2CCOCC2)=C1CC.
What is the InChIKey of 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine?
The InChIKey is AZLDMXCSXBHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-14-7-5-6-8-15(16(14)4-2)13-17-9-11-18-12-10-17/h7H,3-6,8-13H2,1-2H3.
What are the key properties of 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine?
4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-diethylcyclohepta-1,3-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 90985432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).