3,3-di(cyclohexen-1-yl)morpholine

C16H25NO — CID 57287098

IUPAC3,3-di(cyclohexen-1-yl)morpholine
SMILESC1=C(C2(C3=CCCCC3)COCCN2)CCCC1
InChIInChI=1S/C16H25NO/c1-3-7-14(8-4-1)16(13-18-12-11-17-16)15-9-5-2-6-10-15/h7,9,17H,1-6,8,10-13H2
InChIKeyPYCWLTZUFQSWDS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.35
Rot. Bonds2

About 3,3-di(cyclohexen-1-yl)morpholine

3,3-di(cyclohexen-1-yl)morpholine (PubChem CID 57287098) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-di(cyclohexen-1-yl)morpholine.

Molecular Properties

Compound Name3,3-di(cyclohexen-1-yl)morpholine
PubChem CID57287098
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,3-di(cyclohexen-1-yl)morpholine
SMILESC1=C(C2(C3=CCCCC3)COCCN2)CCCC1
InChIInChI=1S/C16H25NO/c1-3-7-14(8-4-1)16(13-18-12-11-17-16)15-9-5-2-6-10-15/h7,9,17H,1-6,8,10-13H2
InChIKeyPYCWLTZUFQSWDS-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Cyclohexen-1-yl)-2-fluoropropyl]morpholine
CID 106655073
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
(4R)-spiro[2-azabicyclo[2.2.2]oct-5-ene-7,2'-oxane]
CID 89721823
(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(oxan-3-yl)prop-2-en-1-amine
CID 80402744
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 106654056
N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 106654058
N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 106654059
N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 106654060
N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 106654061
N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 106654062
1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 106654535

Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclohexen-1-yl)morpholine?
The IUPAC name of 3,3-di(cyclohexen-1-yl)morpholine (CID 57287098) is 3,3-di(cyclohexen-1-yl)morpholine.
What is the SMILES notation for 3,3-di(cyclohexen-1-yl)morpholine?
The canonical SMILES for 3,3-di(cyclohexen-1-yl)morpholine is C1=C(C2(C3=CCCCC3)COCCN2)CCCC1.
What is the InChIKey of 3,3-di(cyclohexen-1-yl)morpholine?
The InChIKey is PYCWLTZUFQSWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-7-14(8-4-1)16(13-18-12-11-17-16)15-9-5-2-6-10-15/h7,9,17H,1-6,8,10-13H2.
What are the key properties of 3,3-di(cyclohexen-1-yl)morpholine?
3,3-di(cyclohexen-1-yl)morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclohexen-1-yl)morpholine is sourced from PubChem (CID 57287098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).