N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride

C14H20BrCl2N3 — CID 68805041

IUPACN-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride
SMILESBrc1cncc(NC2C3CC4CC2CN(C4)C3)c1.Cl.Cl
InChIInChI=1S/C14H18BrN3.2ClH/c15-12-3-13(5-16-4-12)17-14-10-1-9-2-11(14)8-18(6-9)7-10;;/h3-5,9-11,14,17H,1-2,6-8H2;2*1H
InChIKeyMGOCGXUVLOVUHK-UHFFFAOYSA-N
MW381.15 g/mol
LogP3.44
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride

N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride (PubChem CID 68805041) has the molecular formula C14H20BrCl2N3 and a molecular weight of 381.15 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride
PubChem CID68805041
Molecular FormulaC14H20BrCl2N3
Molecular Weight381.15 g/mol
Exact Mass379.02
IUPAC NameN-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride
SMILESBrc1cncc(NC2C3CC4CC2CN(C4)C3)c1.Cl.Cl
InChIInChI=1S/C14H18BrN3.2ClH/c15-12-3-13(5-16-4-12)17-14-10-1-9-2-11(14)8-18(6-9)7-10;;/h3-5,9-11,14,17H,1-2,6-8H2;2*1H
InChIKeyMGOCGXUVLOVUHK-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride?
The IUPAC name of N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride (CID 68805041) is N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride is Brc1cncc(NC2C3CC4CC2CN(C4)C3)c1.Cl.Cl.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride?
The InChIKey is MGOCGXUVLOVUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3.2ClH/c15-12-3-13(5-16-4-12)17-14-10-1-9-2-11(14)8-18(6-9)7-10;;/h3-5,9-11,14,17H,1-2,6-8H2;2*1H.
What are the key properties of N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride?
N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride has a molecular weight of 381.15 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride is sourced from PubChem (CID 68805041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).