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

C16H25N3 — CID 106760805

IUPAC9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(C)c1ccccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H25N3/c1-18(2)15-8-3-4-9-16(15)19-13-6-5-7-14(19)11-12(17)10-13/h3-4,8-9,12-14H,5-7,10-11,17H2,1-2H3
InChIKeyRGERNHXZDSOGBQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.60
Rot. Bonds2

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

9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106760805) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106760805
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(C)c1ccccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H25N3/c1-18(2)15-8-3-4-9-16(15)19-13-6-5-7-14(19)11-12(17)10-13/h3-4,8-9,12-14H,5-7,10-11,17H2,1-2H3
InChIKeyRGERNHXZDSOGBQ-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 106760805) is 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine is CN(C)c1ccccc1N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is RGERNHXZDSOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)15-8-3-4-9-16(15)19-13-6-5-7-14(19)11-12(17)10-13/h3-4,8-9,12-14H,5-7,10-11,17H2,1-2H3.
What are the key properties of 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106760805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).