2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine

C17H26N2O — CID 66393806

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine
SMILESCC(CC(CN)N1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(14-5-3-2-4-6-14)9-15(10-18)19-11-16-7-8-17(12-19)20-16/h2-6,13,15-17H,7-12,18H2,1H3
InChIKeyZBJLURBMMVEHQE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds5

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine (PubChem CID 66393806) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine
PubChem CID66393806
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine
SMILESCC(CC(CN)N1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(14-5-3-2-4-6-14)9-15(10-18)19-11-16-7-8-17(12-19)20-16/h2-6,13,15-17H,7-12,18H2,1H3
InChIKeyZBJLURBMMVEHQE-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine (CID 66393806) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine is CC(CC(CN)N1CC2CCC(C1)O2)c1ccccc1.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine?
The InChIKey is ZBJLURBMMVEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(14-5-3-2-4-6-14)9-15(10-18)19-11-16-7-8-17(12-19)20-16/h2-6,13,15-17H,7-12,18H2,1H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine is sourced from PubChem (CID 66393806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).