3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide

C15H21N3O — CID 107810383

IUPAC3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
SMILESCNC1CC2CCC(C1)N2c1cccc(C(N)=O)c1
InChIInChI=1S/C15H21N3O/c1-17-11-8-13-5-6-14(9-11)18(13)12-4-2-3-10(7-12)15(16)19/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3,(H2,16,19)
InChIKeySYXJBXVKUMYBGE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds3

About 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide

3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide (PubChem CID 107810383) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide.

Molecular Properties

Compound Name3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
PubChem CID107810383
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
SMILESCNC1CC2CCC(C1)N2c1cccc(C(N)=O)c1
InChIInChI=1S/C15H21N3O/c1-17-11-8-13-5-6-14(9-11)18(13)12-4-2-3-10(7-12)15(16)19/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3,(H2,16,19)
InChIKeySYXJBXVKUMYBGE-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 107810377
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321
3-(methylamino)benzamide
CID 18727714
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
ethane;3-(methylamino)benzamide
CID 142071023
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide?
The IUPAC name of 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide (CID 107810383) is 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide.
What is the SMILES notation for 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide?
The canonical SMILES for 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide is CNC1CC2CCC(C1)N2c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide?
The InChIKey is SYXJBXVKUMYBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-11-8-13-5-6-14(9-11)18(13)12-4-2-3-10(7-12)15(16)19/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3,(H2,16,19).
What are the key properties of 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide?
3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide has a molecular weight of 259.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide is sourced from PubChem (CID 107810383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).