N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

C13H24N2O — CID 63361717

IUPACN-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CCCOC1
InChIInChI=1S/C13H24N2O/c1-14-10-7-11-4-5-12(8-10)15(11)13-3-2-6-16-9-13/h10-14H,2-9H2,1H3
InChIKeyMGGOCWPLOYFYOI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

About N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63361717) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63361717
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CCCOC1
InChIInChI=1S/C13H24N2O/c1-14-10-7-11-4-5-12(8-10)15(11)13-3-2-6-16-9-13/h10-14H,2-9H2,1H3
InChIKeyMGGOCWPLOYFYOI-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106808
9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63361631
N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65472059
(3R)-N-methyloxan-3-amine
CID 58327948
N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712235
N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 103968392
N-methyl-3-(oxan-3-yl)cycloheptan-1-amine
CID 107137797
N-methyl-8-(2-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63281613
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
8-(2,2-dimethylcyclohexyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79877974

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63361717) is N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C1CCCOC1.
What is the InChIKey of N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MGGOCWPLOYFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-10-7-11-4-5-12(8-10)15(11)13-3-2-6-16-9-13/h10-14H,2-9H2,1H3.
What are the key properties of N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63361717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).