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

C20H31ClN2O — CID 120985617

IUPAC9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-20(2,17-9-4-3-5-10-17)13-22-19(23)16-11-14-7-6-8-15(12-16)18(14)21;/h3-5,9-10,14-16,18H,6-8,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyBJXMMQLNFONUAD-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.66
Rot. Bonds4

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

9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985617) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985617
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-20(2,17-9-4-3-5-10-17)13-22-19(23)16-11-14-7-6-8-15(12-16)18(14)21;/h3-5,9-10,14-16,18H,6-8,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyBJXMMQLNFONUAD-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988953
9-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987988
2-amino-N-(2-methyl-2-phenylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119724297
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986857
2-methyl-N-(2-methyl-2-phenylpropyl)piperidine-4-carboxamide
CID 106739532
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986975
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985617) is 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1.Cl.
What is the InChIKey of 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BJXMMQLNFONUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-20(2,17-9-4-3-5-10-17)13-22-19(23)16-11-14-7-6-8-15(12-16)18(14)21;/h3-5,9-10,14-16,18H,6-8,11-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.66, 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-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).