(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride

C15H30Cl2N2O2 — CID 3070929

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride
SMILESCCN(CC)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl
InChIInChI=1S/C15H28N2O2.2ClH/c1-4-17(5-2)9-8-15(18)19-14-10-12-6-7-13(11-14)16(12)3;;/h12-14H,4-11H2,1-3H3;2*1H
InChIKeyIEAXVZSXAWOSEQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.73
Rot. Bonds6

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride (PubChem CID 3070929) has the molecular formula C15H30Cl2N2O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride
PubChem CID3070929
Molecular FormulaC15H30Cl2N2O2
Molecular Weight341.32 g/mol
Exact Mass340.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride
SMILESCCN(CC)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl
InChIInChI=1S/C15H28N2O2.2ClH/c1-4-17(5-2)9-8-15(18)19-14-10-12-6-7-13(11-14)16(12)3;;/h12-14H,4-11H2,1-3H3;2*1H
InChIKeyIEAXVZSXAWOSEQ-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.73
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-(diethylamino)propanoate;dihydrochloride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride (CID 3070929) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride is CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride?
The InChIKey is IEAXVZSXAWOSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.2ClH/c1-4-17(5-2)9-8-15(18)19-14-10-12-6-7-13(11-14)16(12)3;;/h12-14H,4-11H2,1-3H3;2*1H.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride has a molecular weight of 341.32 g/mol, XLogP of 2.73, 6 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-(diethylamino)propanoate;dihydrochloride is sourced from PubChem (CID 3070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).