N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine

C16H22N2 — CID 71545220

IUPACN-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine
SMILESCN1[C@@H]2CCC[C@H]1CC(/N=C/c1ccccc1)C2
InChIInChI=1S/C16H22N2/c1-18-15-8-5-9-16(18)11-14(10-15)17-12-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/b17-12+/t14?,15-,16+
InChIKeyZCBOLFYKDPWZFN-HLXLDAJUSA-N
MW242.37 g/mol
LogP3.12
Rot. Bonds2

About N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine

N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine (PubChem CID 71545220) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine
PubChem CID71545220
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine
SMILESCN1[C@@H]2CCC[C@H]1CC(/N=C/c1ccccc1)C2
InChIInChI=1S/C16H22N2/c1-18-15-8-5-9-16(18)11-14(10-15)17-12-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/b17-12+/t14?,15-,16+
InChIKeyZCBOLFYKDPWZFN-HLXLDAJUSA-N
XLogP3.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine?
The IUPAC name of N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine (CID 71545220) is N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine?
The canonical SMILES for N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine is CN1[C@@H]2CCC[C@H]1CC(/N=C/c1ccccc1)C2.
What is the InChIKey of N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine?
The InChIKey is ZCBOLFYKDPWZFN-HLXLDAJUSA-N. The full InChI is InChI=1S/C16H22N2/c1-18-15-8-5-9-16(18)11-14(10-15)17-12-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/b17-12+/t14?,15-,16+.
What are the key properties of N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine?
N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine has a molecular weight of 242.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine is sourced from PubChem (CID 71545220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).