9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H23BrN2S — CID 106039656

IUPAC9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccc(Br)s1
InChIInChI=1S/C15H23BrN2S/c1-17-11-9-12-3-2-4-13(10-11)18(12)8-7-14-5-6-15(16)19-14/h5-6,11-13,17H,2-4,7-10H2,1H3
InChIKeyPILRCNVVWKXGMY-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.66
Rot. Bonds4

About 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106039656) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106039656
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccc(Br)s1
InChIInChI=1S/C15H23BrN2S/c1-17-11-9-12-3-2-4-13(10-11)18(12)8-7-14-5-6-15(16)19-14/h5-6,11-13,17H,2-4,7-10H2,1H3
InChIKeyPILRCNVVWKXGMY-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
2-[2-(5-bromothiophen-2-yl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 106044065
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
CID 114139701
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106408102
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004

Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106039656) is 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CCc1ccc(Br)s1.
What is the InChIKey of 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is PILRCNVVWKXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-17-11-9-12-3-2-4-13(10-11)18(12)8-7-14-5-6-15(16)19-14/h5-6,11-13,17H,2-4,7-10H2,1H3.
What are the key properties of 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 343.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106039656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).