1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C13H22BrN5 — CID 106462912

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H22BrN5/c1-15-11(12-13(14)16-17-19(12)3)8-6-9-4-5-10(7-8)18(9)2/h8-11,15H,4-7H2,1-3H3
InChIKeyVYNWJGFYMODBAW-UHFFFAOYSA-N
MW328.26 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 106462912) has the molecular formula C13H22BrN5 and a molecular weight of 328.26 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID106462912
Molecular FormulaC13H22BrN5
Molecular Weight328.26 g/mol
Exact Mass327.11
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H22BrN5/c1-15-11(12-13(14)16-17-19(12)3)8-6-9-4-5-10(7-8)18(9)2/h8-11,15H,4-7H2,1-3H3
InChIKeyVYNWJGFYMODBAW-UHFFFAOYSA-N
XLogP1.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106462913
1-(5-bromo-3-methyltriazol-4-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
CID 114215947
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998070
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 106466427
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 106462722
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 106462912) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is VYNWJGFYMODBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN5/c1-15-11(12-13(14)16-17-19(12)3)8-6-9-4-5-10(7-8)18(9)2/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 328.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 106462912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).