4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride

C17H27Cl2N3O — CID 119892080

IUPAC4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)c1ccc(CN)cc1)C2.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-20-15-3-2-4-16(20)10-14(9-15)19-17(21)13-7-5-12(11-18)6-8-13;;/h5-8,14-16H,2-4,9-11,18H2,1H3,(H,19,21);2*1H
InChIKeySCUIKCSRCRHGON-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.73
Rot. Bonds3

About 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride

4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride (PubChem CID 119892080) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
PubChem CID119892080
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)c1ccc(CN)cc1)C2.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-20-15-3-2-4-16(20)10-14(9-15)19-17(21)13-7-5-12(11-18)6-8-13;;/h5-8,14-16H,2-4,9-11,18H2,1H3,(H,19,21);2*1H
InChIKeySCUIKCSRCRHGON-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride (CID 119892080) is 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride is CN1C2CCCC1CC(NC(=O)c1ccc(CN)cc1)C2.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The InChIKey is SCUIKCSRCRHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-20-15-3-2-4-16(20)10-14(9-15)19-17(21)13-7-5-12(11-18)6-8-13;;/h5-8,14-16H,2-4,9-11,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119892080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).