[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine

C21H25N3 — CID 40540984

IUPAC[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
SMILESCN1[C@@H](c2ccccc2)[C@@H]2CCC[C@@H](/C2=N/N)[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3/c1-24-20(15-9-4-2-5-10-15)17-13-8-14-18(19(17)23-22)21(24)16-11-6-3-7-12-16/h2-7,9-12,17-18,20-21H,8,13-14,22H2,1H3/b23-19-/t17-,18+,20-,21-/m0/s1
InChIKeyAZCIWMNOPWJILR-BREIVMRLSA-N
MW319.45 g/mol
LogP4.15
Rot. Bonds2

About [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine

[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine (PubChem CID 40540984) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine.

Molecular Properties

Compound Name[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
PubChem CID40540984
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
SMILESCN1[C@@H](c2ccccc2)[C@@H]2CCC[C@@H](/C2=N/N)[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3/c1-24-20(15-9-4-2-5-10-15)17-13-8-14-18(19(17)23-22)21(24)16-11-6-3-7-12-16/h2-7,9-12,17-18,20-21H,8,13-14,22H2,1H3/b23-19-/t17-,18+,20-,21-/m0/s1
InChIKeyAZCIWMNOPWJILR-BREIVMRLSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,4S,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 50935450
(1S,2S,4R,5R)-N-methoxy-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54586140
3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride
CID 24833924
(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-N-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54584216
(2-methylcyclopentyl)benzene
CID 12600454
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
CID 135048454
CID 135048454
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
(7aS)-2-methyl-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 67618847
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine?
The IUPAC name of [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine (CID 40540984) is [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine.
What is the SMILES notation for [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine?
The canonical SMILES for [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine is CN1[C@@H](c2ccccc2)[C@@H]2CCC[C@@H](/C2=N/N)[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine?
The InChIKey is AZCIWMNOPWJILR-BREIVMRLSA-N. The full InChI is InChI=1S/C21H25N3/c1-24-20(15-9-4-2-5-10-15)17-13-8-14-18(19(17)23-22)21(24)16-11-6-3-7-12-16/h2-7,9-12,17-18,20-21H,8,13-14,22H2,1H3/b23-19-/t17-,18+,20-,21-/m0/s1.
What are the key properties of [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine?
[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine has a molecular weight of 319.45 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine is sourced from PubChem (CID 40540984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).