1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol

C13H26N2O2 — CID 79089781

IUPAC1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC2CCC(C1)N2C
InChIInChI=1S/C13H26N2O2/c1-3-17-10-13(16)9-15-7-6-11-4-5-12(8-15)14(11)2/h11-13,16H,3-10H2,1-2H3
InChIKeyGRPXNLXEIPYSFG-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.55
Rot. Bonds5

About 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol

1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (PubChem CID 79089781) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
PubChem CID79089781
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC2CCC(C1)N2C
InChIInChI=1S/C13H26N2O2/c1-3-17-10-13(16)9-15-7-6-11-4-5-12(8-15)14(11)2/h11-13,16H,3-10H2,1-2H3
InChIKeyGRPXNLXEIPYSFG-UHFFFAOYSA-N
XLogP0.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 63554954
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 107263875
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (CID 79089781) is 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is CCOCC(O)CN1CCC2CCC(C1)N2C.
What is the InChIKey of 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The InChIKey is GRPXNLXEIPYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-10-13(16)9-15-7-6-11-4-5-12(8-15)14(11)2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is sourced from PubChem (CID 79089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).