(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone

C13H22N2O2 — CID 55150390

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c14-10-7-11-1-2-12(8-10)15(11)13(16)9-3-5-17-6-4-9/h9-12H,1-8,14H2
InChIKeyQLXWPFOWSLAGKS-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds1

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone (PubChem CID 55150390) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
PubChem CID55150390
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c14-10-7-11-1-2-12(8-10)15(11)13(16)9-3-5-17-6-4-9/h9-12H,1-8,14H2
InChIKeyQLXWPFOWSLAGKS-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone (CID 55150390) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone is NC1CC2CCC(C1)N2C(=O)C1CCOCC1.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The InChIKey is QLXWPFOWSLAGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-10-7-11-1-2-12(8-10)15(11)13(16)9-3-5-17-6-4-9/h9-12H,1-8,14H2.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 55150390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).