N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine

C15H20N2O — CID 11859694

IUPACN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
SMILESO/N=C1\C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c18-16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12/h1-3,5-6,14-15,18H,4,7-11H2/b16-13-/t14-,15+/m0/s1
InChIKeyAHSBEVKCEQXEOP-HRVKVGKRSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds2

About N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine

N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine (PubChem CID 11859694) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
PubChem CID11859694
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
SMILESO/N=C1\C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c18-16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12/h1-3,5-6,14-15,18H,4,7-11H2/b16-13-/t14-,15+/m0/s1
InChIKeyAHSBEVKCEQXEOP-HRVKVGKRSA-N
XLogP3.03
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine
CID 18507032
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
[(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] benzoate
CID 2822575
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
CID 171936976
N-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-ylidene]hydroxylamine
CID 86739741
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The IUPAC name of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine (CID 11859694) is N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine is O/N=C1\C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.
What is the InChIKey of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The InChIKey is AHSBEVKCEQXEOP-HRVKVGKRSA-N. The full InChI is InChI=1S/C15H20N2O/c18-16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12/h1-3,5-6,14-15,18H,4,7-11H2/b16-13-/t14-,15+/m0/s1.
What are the key properties of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine has a molecular weight of 244.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine is sourced from PubChem (CID 11859694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).