4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine

C13H21NO — CID 163683635

IUPAC4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine
SMILESCC(CN1CCOCC1)C1=CCCC=C1
InChIInChI=1S/C13H21NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h3,5-6,12H,2,4,7-11H2,1H3
InChIKeyJMYBVVFDFBYLAM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds3

About 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine

4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine (PubChem CID 163683635) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine.

Molecular Properties

Compound Name4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine
PubChem CID163683635
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine
SMILESCC(CN1CCOCC1)C1=CCCC=C1
InChIInChI=1S/C13H21NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h3,5-6,12H,2,4,7-11H2,1H3
InChIKeyJMYBVVFDFBYLAM-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
4-[2-(2-bromophenyl)propyl]morpholine
CID 115052168
[2-(1-morpholin-4-ylpropan-2-yl)phenyl]methanamine
CID 115040341
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
ethane;4-(2-methylbutyl)morpholine
CID 142525427
3-methyl-4-morpholin-4-ylbutanal
CID 115013883
bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
CID 174270382
3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82090983

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The IUPAC name of 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine (CID 163683635) is 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine.
What is the SMILES notation for 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The canonical SMILES for 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine is CC(CN1CCOCC1)C1=CCCC=C1.
What is the InChIKey of 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The InChIKey is JMYBVVFDFBYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h3,5-6,12H,2,4,7-11H2,1H3.
What are the key properties of 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexa-1,5-dien-1-ylpropyl)morpholine is sourced from PubChem (CID 163683635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).