3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide

C16H23N3O — CID 107810377

IUPAC3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCNC1CC2CCCC(C1)N2c1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O/c1-18-12-9-14-6-3-7-15(10-12)19(14)13-5-2-4-11(8-13)16(17)20/h2,4-5,8,12,14-15,18H,3,6-7,9-10H2,1H3,(H2,17,20)
InChIKeyAIMSCIROUCYYME-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.89
Rot. Bonds3

About 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide

3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide (PubChem CID 107810377) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide.

Molecular Properties

Compound Name3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
PubChem CID107810377
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCNC1CC2CCCC(C1)N2c1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O/c1-18-12-9-14-6-3-7-15(10-12)19(14)13-5-2-4-11(8-13)16(17)20/h2,4-5,8,12,14-15,18H,3,6-7,9-10H2,1H3,(H2,17,20)
InChIKeyAIMSCIROUCYYME-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
CID 107810383
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
9-(2,6-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713430
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106077
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The IUPAC name of 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide (CID 107810377) is 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide.
What is the SMILES notation for 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The canonical SMILES for 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide is CNC1CC2CCCC(C1)N2c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The InChIKey is AIMSCIROUCYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-12-9-14-6-3-7-15(10-12)19(14)13-5-2-4-11(8-13)16(17)20/h2,4-5,8,12,14-15,18H,3,6-7,9-10H2,1H3,(H2,17,20).
What are the key properties of 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide?
3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide has a molecular weight of 273.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide is sourced from PubChem (CID 107810377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).