N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane

C25H40N8 — CID 143870575

IUPACN-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
SMILESCC.CN(Cc1nnc(CC2CCN(C3=NCCN3)CC2)n1C)C1CCCc2cccnc21
InChIInChI=1S/C23H34N8.C2H6/c1-29(19-7-3-5-18-6-4-10-24-22(18)19)16-21-28-27-20(30(21)2)15-17-8-13-31(14-9-17)23-25-11-12-26-23;1-2/h4,6,10,17,19H,3,5,7-9,11-16H2,1-2H3,(H,25,26);1-2H3
InChIKeyNYPAZHQEYDBMBL-UHFFFAOYSA-N
MW452.65 g/mol
LogP2.96
Rot. Bonds5

About N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane

N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane (PubChem CID 143870575) has the molecular formula C25H40N8 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane.

Molecular Properties

Compound NameN-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
PubChem CID143870575
Molecular FormulaC25H40N8
Molecular Weight452.65 g/mol
Exact Mass452.34
IUPAC NameN-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
SMILESCC.CN(Cc1nnc(CC2CCN(C3=NCCN3)CC2)n1C)C1CCCc2cccnc21
InChIInChI=1S/C23H34N8.C2H6/c1-29(19-7-3-5-18-6-4-10-24-22(18)19)16-21-28-27-20(30(21)2)15-17-8-13-31(14-9-17)23-25-11-12-26-23;1-2/h4,6,10,17,19H,3,5,7-9,11-16H2,1-2H3,(H,25,26);1-2H3
InChIKeyNYPAZHQEYDBMBL-UHFFFAOYSA-N
XLogP2.96
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane?
The IUPAC name of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane (CID 143870575) is N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane.
What is the SMILES notation for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane?
The canonical SMILES for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane is CC.CN(Cc1nnc(CC2CCN(C3=NCCN3)CC2)n1C)C1CCCc2cccnc21.
What is the InChIKey of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane?
The InChIKey is NYPAZHQEYDBMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8.C2H6/c1-29(19-7-3-5-18-6-4-10-24-22(18)19)16-21-28-27-20(30(21)2)15-17-8-13-31(14-9-17)23-25-11-12-26-23;1-2/h4,6,10,17,19H,3,5,7-9,11-16H2,1-2H3,(H,25,26);1-2H3.
What are the key properties of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane?
N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane has a molecular weight of 452.65 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane is sourced from PubChem (CID 143870575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).