[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate

C15H28N2O2 — CID 98116142

IUPAC[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC1C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C15H28N2O2/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/t12-,13-/m1/s1
InChIKeyVFRSYAZEERKDHH-CHWSQXEVSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds6

About [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate (PubChem CID 98116142) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate.

Molecular Properties

Compound Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate
PubChem CID98116142
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC1C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C15H28N2O2/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/t12-,13-/m1/s1
InChIKeyVFRSYAZEERKDHH-CHWSQXEVSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate?
The IUPAC name of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate (CID 98116142) is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate.
What is the SMILES notation for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate?
The canonical SMILES for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate is CCN(CC)CCC(=O)OC1C[C@H]2CC[C@H](C1)N2C.
What is the InChIKey of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate?
The InChIKey is VFRSYAZEERKDHH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O2/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/t12-,13-/m1/s1.
What are the key properties of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate?
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(diethylamino)propanoate is sourced from PubChem (CID 98116142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).