9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28BrClN2O — CID 120985408

IUPAC9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27BrN2O.ClH/c1-2-22(12-13-5-3-8-17(20)9-13)19(23)16-10-14-6-4-7-15(11-16)18(14)21;/h3,5,8-9,14-16,18H,2,4,6-7,10-12,21H2,1H3;1H
InChIKeyJENJFFSIKARSTQ-UHFFFAOYSA-N
MW415.80 g/mol
LogP4.37
Rot. Bonds4

About 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985408) has the molecular formula C19H28BrClN2O and a molecular weight of 415.80 g/mol. Its IUPAC name is 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985408
Molecular FormulaC19H28BrClN2O
Molecular Weight415.80 g/mol
Exact Mass414.11
IUPAC Name9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27BrN2O.ClH/c1-2-22(12-13-5-3-8-17(20)9-13)19(23)16-10-14-6-4-7-15(11-16)18(14)21;/h3,5,8-9,14-16,18H,2,4,6-7,10-12,21H2,1H3;1H
InChIKeyJENJFFSIKARSTQ-UHFFFAOYSA-N
XLogP4.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985408) is 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCN(Cc1cccc(Br)c1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is JENJFFSIKARSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O.ClH/c1-2-22(12-13-5-3-8-17(20)9-13)19(23)16-10-14-6-4-7-15(11-16)18(14)21;/h3,5,8-9,14-16,18H,2,4,6-7,10-12,21H2,1H3;1H.
What are the key properties of 9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 415.80 g/mol, XLogP of 4.37, 4 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-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).