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

C15H22N2 — CID 55106031

IUPACN-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1
InChIInChI=1S/C15H22N2/c1-16-12-10-14-8-5-9-15(11-12)17(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyVFUQYPJPOBXPBQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.80
Rot. Bonds2

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

N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55106031) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55106031
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1
InChIInChI=1S/C15H22N2/c1-16-12-10-14-8-5-9-15(11-12)17(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyVFUQYPJPOBXPBQ-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 55106031) is N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1ccccc1.
What is the InChIKey of N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VFUQYPJPOBXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-12-10-14-8-5-9-15(11-12)17(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3.
What are the key properties of N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55106031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).