1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

C19H33NO3 — CID 130269708

IUPAC1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCC1(CCOCC(O)CN2CCOCC2)CC2CC3CC(C1)C32
InChIInChI=1S/C19H33NO3/c1-19(10-15-8-14-9-16(11-19)18(14)15)2-5-23-13-17(21)12-20-3-6-22-7-4-20/h14-18,21H,2-13H2,1H3
InChIKeyDAMYDOYDROLDEI-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.16
Rot. Bonds7

About 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 130269708) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID130269708
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCC1(CCOCC(O)CN2CCOCC2)CC2CC3CC(C1)C32
InChIInChI=1S/C19H33NO3/c1-19(10-15-8-14-9-16(11-19)18(14)15)2-5-23-13-17(21)12-20-3-6-22-7-4-20/h14-18,21H,2-13H2,1H3
InChIKeyDAMYDOYDROLDEI-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
CID 7058348
(2S)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-morpholin-4-ylpropan-2-ol
CID 124853914
1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2882803
(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol
CID 98675742
1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride
CID 21236682
1-[2-(1-adamantyl)ethoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 2870462
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 107263875
1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
CID 58991248
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2867092
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate
CID 7336055
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (CID 130269708) is 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is CC1(CCOCC(O)CN2CCOCC2)CC2CC3CC(C1)C32.
What is the InChIKey of 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is DAMYDOYDROLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-19(10-15-8-14-9-16(11-19)18(14)15)2-5-23-13-17(21)12-20-3-6-22-7-4-20/h14-18,21H,2-13H2,1H3.
What are the key properties of 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 130269708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).