9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H29ClN2O — CID 120990581

IUPAC9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1ccccc1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-13-6-3-4-7-16(13)12-21-19(22)17-10-14-8-5-9-15(11-17)18(14)20;/h3-4,6-7,14-15,17-18H,2,5,8-12,20H2,1H3,(H,21,22);1H
InChIKeyYZZVDBLCRUEBAG-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.44
Rot. Bonds4

About 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120990581) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120990581
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1ccccc1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-13-6-3-4-7-16(13)12-21-19(22)17-10-14-8-5-9-15(11-17)18(14)20;/h3-4,6-7,14-15,17-18H,2,5,8-12,20H2,1H3,(H,21,22);1H
InChIKeyYZZVDBLCRUEBAG-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
9-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985305
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
9-amino-N-[(2-prop-2-enoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989577
9-amino-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986975
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120990581) is 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCc1ccccc1CNC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YZZVDBLCRUEBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-13-6-3-4-7-16(13)12-21-19(22)17-10-14-8-5-9-15(11-17)18(14)20;/h3-4,6-7,14-15,17-18H,2,5,8-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).