N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24BrN3 — CID 79717810

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncc(Br)cc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24BrN3/c1-3-6-20(16-11(2)7-12(17)10-18-16)15-8-13-4-5-14(9-15)19-13/h7,10,13-15,19H,3-6,8-9H2,1-2H3
InChIKeyZBTNWPOXJVRLDP-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.65
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79717810) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79717810
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncc(Br)cc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24BrN3/c1-3-6-20(16-11(2)7-12(17)10-18-16)15-8-13-4-5-14(9-15)19-13/h7,10,13-15,19H,3-6,8-9H2,1-2H3
InChIKeyZBTNWPOXJVRLDP-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79728362
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N-propyl-N-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232893
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
N-(4-methylpyrimidin-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55153997
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537
N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232892

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 79717810) is N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(c1ncc(Br)cc1C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZBTNWPOXJVRLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-3-6-20(16-11(2)7-12(17)10-18-16)15-8-13-4-5-14(9-15)19-13/h7,10,13-15,19H,3-6,8-9H2,1-2H3.
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 338.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79717810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).