3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile

C15H19N3 — CID 62712714

IUPAC3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
SMILESN#Cc1cccc(N2C3CCCC2CC(N)C3)c1
InChIInChI=1S/C15H19N3/c16-10-11-3-1-4-13(7-11)18-14-5-2-6-15(18)9-12(17)8-14/h1,3-4,7,12,14-15H,2,5-6,8-9,17H2
InChIKeyTWTRSZLMLWATNN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.41
Rot. Bonds1

About 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile

3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile (PubChem CID 62712714) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
PubChem CID62712714
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
SMILESN#Cc1cccc(N2C3CCCC2CC(N)C3)c1
InChIInChI=1S/C15H19N3/c16-10-11-3-1-4-13(7-11)18-14-5-2-6-15(18)9-12(17)8-14/h1,3-4,7,12,14-15H,2,5-6,8-9,17H2
InChIKeyTWTRSZLMLWATNN-UHFFFAOYSA-N
XLogP2.41
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712900
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile
CID 61235396
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)benzonitrile
CID 103979496
8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739808
8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740315
2-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)-3-methoxybenzonitrile
CID 107469879
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)benzonitrile
CID 102816646
3-[1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]benzonitrile
CID 65471212

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile?
The IUPAC name of 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile (CID 62712714) is 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile.
What is the SMILES notation for 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile?
The canonical SMILES for 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile is N#Cc1cccc(N2C3CCCC2CC(N)C3)c1.
What is the InChIKey of 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile?
The InChIKey is TWTRSZLMLWATNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-11-3-1-4-13(7-11)18-14-5-2-6-15(18)9-12(17)8-14/h1,3-4,7,12,14-15H,2,5-6,8-9,17H2.
What are the key properties of 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile?
3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile is sourced from PubChem (CID 62712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).