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

C13H26Cl2N2O2 — CID 3070927

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride
SMILESCN(C)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3;;/h10-12H,4-9H2,1-3H3;2*1H
InChIKeyNSAFZAYQJDIELC-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.95
Rot. Bonds4

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

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride (PubChem CID 3070927) has the molecular formula C13H26Cl2N2O2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride
PubChem CID3070927
Molecular FormulaC13H26Cl2N2O2
Molecular Weight313.27 g/mol
Exact Mass312.14
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride
SMILESCN(C)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3;;/h10-12H,4-9H2,1-3H3;2*1H
InChIKeyNSAFZAYQJDIELC-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride (CID 3070927) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride is CN(C)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride?
The InChIKey is NSAFZAYQJDIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.2ClH/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3;;/h10-12H,4-9H2,1-3H3;2*1H.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 1.95, 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-(dimethylamino)propanoate;dihydrochloride is sourced from PubChem (CID 3070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).