4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine

C14H24N2O — CID 143082161

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine
SMILESC1=C2CCCCC2C(CN2CCOCC2)NC1
InChIInChI=1S/C14H24N2O/c1-2-4-13-12(3-1)5-6-15-14(13)11-16-7-9-17-10-8-16/h5,13-15H,1-4,6-11H2
InChIKeyAGYGMKREYFODFB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.41
Rot. Bonds2

About 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine

4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine (PubChem CID 143082161) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine
PubChem CID143082161
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine
SMILESC1=C2CCCCC2C(CN2CCOCC2)NC1
InChIInChI=1S/C14H24N2O/c1-2-4-13-12(3-1)5-6-15-14(13)11-16-7-9-17-10-8-16/h5,13-15H,1-4,6-11H2
InChIKeyAGYGMKREYFODFB-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine (CID 143082161) is 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine is C1=C2CCCCC2C(CN2CCOCC2)NC1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine?
The InChIKey is AGYGMKREYFODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-4-13-12(3-1)5-6-15-14(13)11-16-7-9-17-10-8-16/h5,13-15H,1-4,6-11H2.
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine?
4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine has a molecular weight of 236.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroisoquinolin-1-ylmethyl)morpholine is sourced from PubChem (CID 143082161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).