5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride

C17H27Cl2N3O — CID 120647242

IUPAC5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CC2CCCC(C1)N2C.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-11-6-7-12(18)8-16(11)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2;;/h6-8,13-15H,3-5,9-10,18H2,1-2H3,(H,19,21);2*1H
InChIKeyDJXNXZAIJZBJOR-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.17
Rot. Bonds2

About 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride

5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride (PubChem CID 120647242) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
PubChem CID120647242
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CC2CCCC(C1)N2C.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-11-6-7-12(18)8-16(11)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2;;/h6-8,13-15H,3-5,9-10,18H2,1-2H3,(H,19,21);2*1H
InChIKeyDJXNXZAIJZBJOR-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65470253
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471480
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride (CID 120647242) is 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NC1CC2CCCC(C1)N2C.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
The InChIKey is DJXNXZAIJZBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-11-6-7-12(18)8-16(11)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2;;/h6-8,13-15H,3-5,9-10,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride?
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120647242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).