9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H26N2 — CID 55106077

IUPAC9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cccc(C)c1C
InChIInChI=1S/C17H26N2/c1-12-6-4-9-17(13(12)2)19-15-7-5-8-16(19)11-14(10-15)18-3/h4,6,9,14-16,18H,5,7-8,10-11H2,1-3H3
InChIKeyJFJQSPUCCJWEIR-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.41
Rot. Bonds2

About 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55106077) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55106077
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cccc(C)c1C
InChIInChI=1S/C17H26N2/c1-12-6-4-9-17(13(12)2)19-15-7-5-8-16(19)11-14(10-15)18-3/h4,6,9,14-16,18H,5,7-8,10-11H2,1-3H3
InChIKeyJFJQSPUCCJWEIR-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
9-(2,6-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713430
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106760806
N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712367
N-methyl-9-[2-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714688
9-(3-bromo-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639351
N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713995
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
8-(2-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740859
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 55106077) is 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1cccc(C)c1C.
What is the InChIKey of 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JFJQSPUCCJWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-6-4-9-17(13(12)2)19-15-7-5-8-16(19)11-14(10-15)18-3/h4,6,9,14-16,18H,5,7-8,10-11H2,1-3H3.
What are the key properties of 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55106077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).