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

C60H60N10 — CID 71656187

IUPAC1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C60H60N10/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60/h1-36H,37-48H2
InChIKeyWMKHFDNQVWHGEV-UHFFFAOYSA-N
MW921.21 g/mol
LogP10.87
Rot. Bonds24

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

1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine (PubChem CID 71656187) has the molecular formula C60H60N10 and a molecular weight of 921.21 g/mol. Its IUPAC name is 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine
PubChem CID71656187
Molecular FormulaC60H60N10
Molecular Weight921.21 g/mol
Exact Mass920.50
IUPAC Name1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C60H60N10/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60/h1-36H,37-48H2
InChIKeyWMKHFDNQVWHGEV-UHFFFAOYSA-N
XLogP10.87
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.21
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine?
The IUPAC name of 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine (CID 71656187) is 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine is c1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine?
The InChIKey is WMKHFDNQVWHGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N10/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60/h1-36H,37-48H2.
What are the key properties of 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine?
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine has a molecular weight of 921.21 g/mol, XLogP of 10.87, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine is sourced from PubChem (CID 71656187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).