9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H24N2O — CID 63361631

IUPAC9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2C1CCCOC1
InChIInChI=1S/C13H24N2O/c14-10-7-11-3-1-4-12(8-10)15(11)13-5-2-6-16-9-13/h10-13H,1-9,14H2
InChIKeyHQDBOCNLNHGGHW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.51
Rot. Bonds1

About 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63361631) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63361631
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2C1CCCOC1
InChIInChI=1S/C13H24N2O/c14-10-7-11-3-1-4-12(8-10)15(11)13-5-2-6-16-9-13/h10-13H,1-9,14H2
InChIKeyHQDBOCNLNHGGHW-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63361717
(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 58358719
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233266
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
(1S,5R)-9-[(1R,5S)-7-methyl-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 90115493
9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 80715836
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
oxan-3-amine
CID 5200320
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 63361631) is 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2C1CCCOC1.
What is the InChIKey of 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is HQDBOCNLNHGGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-10-7-11-3-1-4-12(8-10)15(11)13-5-2-6-16-9-13/h10-13H,1-9,14H2.
What are the key properties of 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).