9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile

C16H20N2 — CID 15639095

IUPAC9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
SMILESN#CC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H20N2/c17-11-14-9-15-7-4-8-16(10-14)18(15)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-10,12H2
InChIKeySRRYTQUNCUSJPQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds2

About 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile

9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile (PubChem CID 15639095) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile.

Molecular Properties

Compound Name9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
PubChem CID15639095
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
SMILESN#CC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H20N2/c17-11-14-9-15-7-4-8-16(10-14)18(15)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-10,12H2
InChIKeySRRYTQUNCUSJPQ-UHFFFAOYSA-N
XLogP3.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 20524142
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
CID 171936976
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile?
The IUPAC name of 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile (CID 15639095) is 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile.
What is the SMILES notation for 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile?
The canonical SMILES for 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile is N#CC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile?
The InChIKey is SRRYTQUNCUSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-11-14-9-15-7-4-8-16(10-14)18(15)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-10,12H2.
What are the key properties of 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile?
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile is sourced from PubChem (CID 15639095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).