N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride

C20H28Cl4N6 — CID 68794390

IUPACN-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
SMILESCN(Cc1cn(-c2ccccc2CN)nn1)C1CCCc2cccnc21.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H24N6.4ClH/c1-25(19-10-4-7-15-8-5-11-22-20(15)19)13-17-14-26(24-23-17)18-9-3-2-6-16(18)12-21;;;;/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13,21H2,1H3;4*1H
InChIKeyMTWRHUHQKCLUHN-UHFFFAOYSA-N
MW494.30 g/mol
LogP4.32
Rot. Bonds5

About N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride

N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride (PubChem CID 68794390) has the molecular formula C20H28Cl4N6 and a molecular weight of 494.30 g/mol. Its IUPAC name is N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
PubChem CID68794390
Molecular FormulaC20H28Cl4N6
Molecular Weight494.30 g/mol
Exact Mass492.11
IUPAC NameN-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
SMILESCN(Cc1cn(-c2ccccc2CN)nn1)C1CCCc2cccnc21.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H24N6.4ClH/c1-25(19-10-4-7-15-8-5-11-22-20(15)19)13-17-14-26(24-23-17)18-9-3-2-6-16(18)12-21;;;;/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13,21H2,1H3;4*1H
InChIKeyMTWRHUHQKCLUHN-UHFFFAOYSA-N
XLogP4.32
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride with MolForge

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Related Compounds

N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176612
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 46204207
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
N-[[1-(1-bromobut-3-enyl)imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
CID 143518631
N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143187001
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
N-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501628
N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine
CID 24830159
N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 160710266
N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140943219

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride?
The IUPAC name of N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride (CID 68794390) is N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride.
What is the SMILES notation for N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride?
The canonical SMILES for N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride is CN(Cc1cn(-c2ccccc2CN)nn1)C1CCCc2cccnc21.Cl.Cl.Cl.Cl.
What is the InChIKey of N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride?
The InChIKey is MTWRHUHQKCLUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6.4ClH/c1-25(19-10-4-7-15-8-5-11-22-20(15)19)13-17-14-26(24-23-17)18-9-3-2-6-16(18)12-21;;;;/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13,21H2,1H3;4*1H.
What are the key properties of N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride?
N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride has a molecular weight of 494.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride is sourced from PubChem (CID 68794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).