(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride

C15H24Cl2N2 — CID 138376241

IUPAC(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
SMILESCl.Cl.NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H22N2.2ClH/c16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12;;/h1-3,5-6,13-15H,4,7-11,16H2;2*1H/t13?,14-,15+;;
InChIKeyQCOIRTCFGMEMDF-YCUJEXCHSA-N
MW303.28 g/mol
LogP3.37
Rot. Bonds2

About (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride

(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride (PubChem CID 138376241) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
PubChem CID138376241
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
SMILESCl.Cl.NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H22N2.2ClH/c16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12;;/h1-3,5-6,13-15H,4,7-11,16H2;2*1H/t13?,14-,15+;;
InChIKeyQCOIRTCFGMEMDF-YCUJEXCHSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331
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
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride?
The IUPAC name of (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride (CID 138376241) is (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride.
What is the SMILES notation for (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride?
The canonical SMILES for (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride is Cl.Cl.NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.
What is the InChIKey of (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride?
The InChIKey is QCOIRTCFGMEMDF-YCUJEXCHSA-N. The full InChI is InChI=1S/C15H22N2.2ClH/c16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12;;/h1-3,5-6,13-15H,4,7-11,16H2;2*1H/t13?,14-,15+;;.
What are the key properties of (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride?
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride is sourced from PubChem (CID 138376241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).