8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

C16H20N2 — CID 20524142

IUPAC8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESN#CC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C16H20N2/c17-12-14-10-15-6-7-16(11-14)18(15)9-8-13-4-2-1-3-5-13/h1-5,14-16H,6-11H2
InChIKeyXYICYXIHPRAMKW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.00
Rot. Bonds3

About 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 20524142) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID20524142
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESN#CC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C16H20N2/c17-12-14-10-15-6-7-16(11-14)18(15)9-8-13-4-2-1-3-5-13/h1-5,14-16H,6-11H2
InChIKeyXYICYXIHPRAMKW-UHFFFAOYSA-N
XLogP3.00
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 20524142) is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile is N#CC1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is XYICYXIHPRAMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-12-14-10-15-6-7-16(11-14)18(15)9-8-13-4-2-1-3-5-13/h1-5,14-16H,6-11H2.
What are the key properties of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 20524142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).