4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide

C17H25N3O — CID 61013401

IUPAC4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
SMILESCN1C2CCC1CC(CNCc1ccc(C(N)=O)cc1)C2
InChIInChI=1S/C17H25N3O/c1-20-15-6-7-16(20)9-13(8-15)11-19-10-12-2-4-14(5-3-12)17(18)21/h2-5,13,15-16,19H,6-11H2,1H3,(H2,18,21)
InChIKeyYBUKMKVLJMCBGR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.75
Rot. Bonds5

About 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide

4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide (PubChem CID 61013401) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
PubChem CID61013401
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
SMILESCN1C2CCC1CC(CNCc1ccc(C(N)=O)cc1)C2
InChIInChI=1S/C17H25N3O/c1-20-15-6-7-16(20)9-13(8-15)11-19-10-12-2-4-14(5-3-12)17(18)21/h2-5,13,15-16,19H,6-11H2,1H3,(H2,18,21)
InChIKeyYBUKMKVLJMCBGR-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide with MolForge

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Related Compounds

4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
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CID 71933164
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 54899981
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 61011504
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339065
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 66525054
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide (CID 61013401) is 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide is CN1C2CCC1CC(CNCc1ccc(C(N)=O)cc1)C2.
What is the InChIKey of 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide?
The InChIKey is YBUKMKVLJMCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-15-6-7-16(20)9-13(8-15)11-19-10-12-2-4-14(5-3-12)17(18)21/h2-5,13,15-16,19H,6-11H2,1H3,(H2,18,21).
What are the key properties of 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide?
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide has a molecular weight of 287.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 61013401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).