9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

C18H25BrN2O — CID 120985389

IUPAC9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H25BrN2O/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3
InChIKeySTSITPXUDKZZIU-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.56
Rot. Bonds3

About 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985389) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985389
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H25BrN2O/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3
InChIKeySTSITPXUDKZZIU-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
4-[(3-bromophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784849
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990447
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (CID 120985389) is 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is STSITPXUDKZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3.
What are the key properties of 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).