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

C17H32ClN3O2 — CID 120993844

IUPAC9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)NCCN(C)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-11(2)16(21)19-7-8-20(3)17(22)14-9-12-5-4-6-13(10-14)15(12)18;/h11-15H,4-10,18H2,1-3H3,(H,19,21);1H
InChIKeyYGTJAWCUHKNRPU-UHFFFAOYSA-N
MW345.92 g/mol
LogP1.79
Rot. Bonds5

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

9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120993844) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120993844
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)C(=O)NCCN(C)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-11(2)16(21)19-7-8-20(3)17(22)14-9-12-5-4-6-13(10-14)15(12)18;/h11-15H,4-10,18H2,1-3H3,(H,19,21);1H
InChIKeyYGTJAWCUHKNRPU-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983601
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120993844) is 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)C(=O)NCCN(C)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YGTJAWCUHKNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-11(2)16(21)19-7-8-20(3)17(22)14-9-12-5-4-6-13(10-14)15(12)18;/h11-15H,4-10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).