N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

C13H13BrN6 — CID 115959259

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)c1nn[nH]n1
InChIInChI=1S/C13H13BrN6/c1-8(13-17-19-20-18-13)16-7-9-4-5-11(14)10-3-2-6-15-12(9)10/h2-6,8,16H,7H2,1H3,(H,17,18,19,20)
InChIKeyJJLYDZAJFXVOJT-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.36
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 115959259) has the molecular formula C13H13BrN6 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID115959259
Molecular FormulaC13H13BrN6
Molecular Weight333.19 g/mol
Exact Mass332.04
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)c1nn[nH]n1
InChIInChI=1S/C13H13BrN6/c1-8(13-17-19-20-18-13)16-7-9-4-5-11(14)10-3-2-6-15-12(9)10/h2-6,8,16H,7H2,1H3,(H,17,18,19,20)
InChIKeyJJLYDZAJFXVOJT-UHFFFAOYSA-N
XLogP2.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 115959259) is N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is CC(NCc1ccc(Br)c2cccnc12)c1nn[nH]n1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is JJLYDZAJFXVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6/c1-8(13-17-19-20-18-13)16-7-9-4-5-11(14)10-3-2-6-15-12(9)10/h2-6,8,16H,7H2,1H3,(H,17,18,19,20).
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 333.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 115959259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).