8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H31N3O — CID 43131700

IUPAC8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C16H31N3O/c1-16(2,19-6-8-20-9-7-19)12-17-13-10-14-4-5-15(11-13)18(14)3/h13-15,17H,4-12H2,1-3H3
InChIKeyJMXQLUSDTIQZSM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.31
Rot. Bonds4

About 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131700) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131700
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C16H31N3O/c1-16(2,19-6-8-20-9-7-19)12-17-13-10-14-4-5-15(11-13)18(14)3/h13-15,17H,4-12H2,1-3H3
InChIKeyJMXQLUSDTIQZSM-UHFFFAOYSA-N
XLogP1.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 43131700) is 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCC(C)(C)N1CCOCC1)C2.
What is the InChIKey of 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JMXQLUSDTIQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,19-6-8-20-9-7-19)12-17-13-10-14-4-5-15(11-13)18(14)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).