(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride

C15H28Cl2N2O2 — CID 3070930

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCC1)C2.Cl.Cl
InChIInChI=1S/C15H26N2O2.2ClH/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyOCUFAPCZYRLCMB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.48
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride (PubChem CID 3070930) has the molecular formula C15H28Cl2N2O2 and a molecular weight of 339.31 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride
PubChem CID3070930
Molecular FormulaC15H28Cl2N2O2
Molecular Weight339.31 g/mol
Exact Mass338.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCC1)C2.Cl.Cl
InChIInChI=1S/C15H26N2O2.2ClH/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyOCUFAPCZYRLCMB-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride (CID 3070930) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride is CN1C2CCC1CC(OC(=O)CCN1CCCC1)C2.Cl.Cl.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride?
The InChIKey is OCUFAPCZYRLCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.2ClH/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17;;/h12-14H,2-11H2,1H3;2*1H.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride is sourced from PubChem (CID 3070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).