9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine

C21H26N2 — CID 141367299

IUPAC9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESc1ccc(CN2C3CCCC2CC(Nc2ccccc2)C3)cc1
InChIInChI=1S/C21H26N2/c1-3-8-17(9-4-1)16-23-20-12-7-13-21(23)15-19(14-20)22-18-10-5-2-6-11-18/h1-6,8-11,19-22H,7,12-16H2
InChIKeyWNCKFTWCRNAROD-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.68
Rot. Bonds4

About 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine

9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 141367299) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID141367299
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESc1ccc(CN2C3CCCC2CC(Nc2ccccc2)C3)cc1
InChIInChI=1S/C21H26N2/c1-3-8-17(9-4-1)16-23-20-12-7-13-21(23)15-19(14-20)22-18-10-5-2-6-11-18/h1-6,8-11,19-22H,7,12-16H2
InChIKeyWNCKFTWCRNAROD-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
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
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
(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
(1R,5S)-9-benzyl-N-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 58946767
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
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
1-[(1S,5R)-9-[(4-chlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1467219
1-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 1460523

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 141367299) is 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine is c1ccc(CN2C3CCCC2CC(Nc2ccccc2)C3)cc1.
What is the InChIKey of 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WNCKFTWCRNAROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-8-17(9-4-1)16-23-20-12-7-13-21(23)15-19(14-20)22-18-10-5-2-6-11-18/h1-6,8-11,19-22H,7,12-16H2.
What are the key properties of 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 306.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 141367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).