9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H27N3 — CID 106760806

IUPAC9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1N(C)C
InChIInChI=1S/C17H27N3/c1-18-13-11-14-7-6-8-15(12-13)20(14)17-10-5-4-9-16(17)19(2)3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyGEXGCKJDOMUPJP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.86
Rot. Bonds3

About 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106760806) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106760806
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1N(C)C
InChIInChI=1S/C17H27N3/c1-18-13-11-14-7-6-8-15(12-13)20(14)17-10-5-4-9-16(17)19(2)3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyGEXGCKJDOMUPJP-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 106760805
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
8-(2-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740859
9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106077
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
9-(2,6-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713430
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
9-(4-bromo-2-ethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81289517
N-methyl-8-(2,4,5-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106953
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-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106760806) is 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1ccccc1N(C)C.
What is the InChIKey of 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GEXGCKJDOMUPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-13-11-14-7-6-8-15(12-13)20(14)17-10-5-4-9-16(17)19(2)3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106760806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).