1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine

C8H16N2O — CID 69004310

IUPAC1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine
SMILESCC(N)CN1CC2CC1CO2
InChIInChI=1S/C8H16N2O/c1-6(9)3-10-4-8-2-7(10)5-11-8/h6-8H,2-5,9H2,1H3
InChIKeyGQHVMSNBLNJHID-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds2

About 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine

1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine (PubChem CID 69004310) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine
PubChem CID69004310
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine
SMILESCC(N)CN1CC2CC1CO2
InChIInChI=1S/C8H16N2O/c1-6(9)3-10-4-8-2-7(10)5-11-8/h6-8H,2-5,9H2,1H3
InChIKeyGQHVMSNBLNJHID-UHFFFAOYSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine?
The IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine (CID 69004310) is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine is CC(N)CN1CC2CC1CO2.
What is the InChIKey of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine?
The InChIKey is GQHVMSNBLNJHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)3-10-4-8-2-7(10)5-11-8/h6-8H,2-5,9H2,1H3.
What are the key properties of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine?
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine is sourced from PubChem (CID 69004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).