9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide

C22H28N2O — CID 120985296

IUPAC9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C22H28N2O/c1-24(14-18-10-4-7-15-6-2-3-11-20(15)18)22(25)19-12-16-8-5-9-17(13-19)21(16)23/h2-4,6-7,10-11,16-17,19,21H,5,8-9,12-14,23H2,1H3
InChIKeyKXSRGXNKLAGSFJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.95
Rot. Bonds3

About 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985296) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985296
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C22H28N2O/c1-24(14-18-10-4-7-15-6-2-3-11-20(15)18)22(25)19-12-16-8-5-9-17(13-19)21(16)23/h2-4,6-7,10-11,16-17,19,21H,5,8-9,12-14,23H2,1H3
InChIKeyKXSRGXNKLAGSFJ-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119707661
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990447
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120985296) is 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide is CN(Cc1cccc2ccccc12)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is KXSRGXNKLAGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-24(14-18-10-4-7-15-6-2-3-11-20(15)18)22(25)19-12-16-8-5-9-17(13-19)21(16)23/h2-4,6-7,10-11,16-17,19,21H,5,8-9,12-14,23H2,1H3.
What are the key properties of 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).