N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

C48H48N6 — CID 101191424

IUPACN-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccn3)cc(CN(Cc3ccccc3)Cc3ccccn3)c2)Cc2ccccn2)cc1
InChIInChI=1S/C48H48N6/c1-4-16-40(17-5-1)31-52(37-46-22-10-13-25-49-46)34-43-28-44(35-53(32-41-18-6-2-7-19-41)38-47-23-11-14-26-50-47)30-45(29-43)36-54(33-42-20-8-3-9-21-42)39-48-24-12-15-27-51-48/h1-30H,31-39H2
InChIKeyXOBZQANZRNXDRR-UHFFFAOYSA-N
MW708.95 g/mol
LogP9.48
Rot. Bonds18

About N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 101191424) has the molecular formula C48H48N6 and a molecular weight of 708.95 g/mol. Its IUPAC name is N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID101191424
Molecular FormulaC48H48N6
Molecular Weight708.95 g/mol
Exact Mass708.39
IUPAC NameN-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccn3)cc(CN(Cc3ccccc3)Cc3ccccn3)c2)Cc2ccccn2)cc1
InChIInChI=1S/C48H48N6/c1-4-16-40(17-5-1)31-52(37-46-22-10-13-25-49-46)34-43-28-44(35-53(32-41-18-6-2-7-19-41)38-47-23-11-14-26-50-47)30-45(29-43)36-54(33-42-20-8-3-9-21-42)39-48-24-12-15-27-51-48/h1-30H,31-39H2
InChIKeyXOBZQANZRNXDRR-UHFFFAOYSA-N
XLogP9.48
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
CID 59434890
CID 59434890
N-benzyl-1-phenyl-N-(pyrazin-2-ylmethyl)methanamine
CID 97356016
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (CID 101191424) is N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccn3)cc(CN(Cc3ccccc3)Cc3ccccn3)c2)Cc2ccccn2)cc1.
What is the InChIKey of N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is XOBZQANZRNXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N6/c1-4-16-40(17-5-1)31-52(37-46-22-10-13-25-49-46)34-43-28-44(35-53(32-41-18-6-2-7-19-41)38-47-23-11-14-26-50-47)30-45(29-43)36-54(33-42-20-8-3-9-21-42)39-48-24-12-15-27-51-48/h1-30H,31-39H2.
What are the key properties of N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 708.95 g/mol, XLogP of 9.48, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 101191424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).