tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)

C72H86N14OZn4+8 — CID 162274194

IUPACtetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)
SMILESCCN(C)C.CCN(C)C.Oc1c(CN(Cc2ccccn2)Cc2ccccn2)cccc1CN(Cc1ccccn1)Cc1ccccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(CN(Cc2cccc(CN(Cc3ccccn3)Cc3ccccn3)c2)Cc2ccccn2)nc1
InChIInChI=1S/C32H32N6O.C32H32N6.2C4H11N.4Zn/c39-32-26(20-37(22-28-12-1-5-16-33-28)23-29-13-2-6-17-34-29)10-9-11-27(32)21-38(24-30-14-3-7-18-35-30)25-31-15-4-8-19-36-31;1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32;2*1-4-5(2)3;;;;/h1-19,39H,20-25H2;1-20H,21-26H2;2*4H2,1-3H3;;;;/q;;;;4*+2
InChIKeyYSBLRPIOXKZAOU-UHFFFAOYSA-N
MW1425.14 g/mol
LogP12.17
Rot. Bonds26

About tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)

tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) (PubChem CID 162274194) has the molecular formula C72H86N14OZn4+8 and a molecular weight of 1425.14 g/mol. Its IUPAC name is tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine).

Molecular Properties

Compound Nametetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)
PubChem CID162274194
Molecular FormulaC72H86N14OZn4+8
Molecular Weight1425.14 g/mol
Exact Mass1418.42
IUPAC Nametetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)
SMILESCCN(C)C.CCN(C)C.Oc1c(CN(Cc2ccccn2)Cc2ccccn2)cccc1CN(Cc1ccccn1)Cc1ccccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(CN(Cc2cccc(CN(Cc3ccccn3)Cc3ccccn3)c2)Cc2ccccn2)nc1
InChIInChI=1S/C32H32N6O.C32H32N6.2C4H11N.4Zn/c39-32-26(20-37(22-28-12-1-5-16-33-28)23-29-13-2-6-17-34-29)10-9-11-27(32)21-38(24-30-14-3-7-18-35-30)25-31-15-4-8-19-36-31;1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32;2*1-4-5(2)3;;;;/h1-19,39H,20-25H2;1-20H,21-26H2;2*4H2,1-3H3;;;;/q;;;;4*+2
InChIKeyYSBLRPIOXKZAOU-UHFFFAOYSA-N
XLogP12.17
TPSA142.79 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.14
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)?
The IUPAC name of tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) (CID 162274194) is tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine).
What is the SMILES notation for tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)?
The canonical SMILES for tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) is CCN(C)C.CCN(C)C.Oc1c(CN(Cc2ccccn2)Cc2ccccn2)cccc1CN(Cc1ccccn1)Cc1ccccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(CN(Cc2cccc(CN(Cc3ccccn3)Cc3ccccn3)c2)Cc2ccccn2)nc1.
What is the InChIKey of tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)?
The InChIKey is YSBLRPIOXKZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O.C32H32N6.2C4H11N.4Zn/c39-32-26(20-37(22-28-12-1-5-16-33-28)23-29-13-2-6-17-34-29)10-9-11-27(32)21-38(24-30-14-3-7-18-35-30)25-31-15-4-8-19-36-31;1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32;2*1-4-5(2)3;;;;/h1-19,39H,20-25H2;1-20H,21-26H2;2*4H2,1-3H3;;;;/q;;;;4*+2.
What are the key properties of tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine)?
tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) has a molecular weight of 1425.14 g/mol, XLogP of 12.17, 26 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(N,N-dimethylethanamine) is sourced from PubChem (CID 162274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).