N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride

C34H50Cl2N4Tc-2 — CID 18441374

IUPACN'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
SMILESCC(C)c1cccc(C(C)C)c1NCCN(CCNc1c(C(C)C)cccc1C(C)C)Cc1ccccn1.[Cl-].[Cl-].[Tc]
InChIInChI=1S/C34H50N4.2ClH.Tc/c1-24(2)29-14-11-15-30(25(3)4)33(29)36-19-21-38(23-28-13-9-10-18-35-28)22-20-37-34-31(26(5)6)16-12-17-32(34)27(7)8;;;/h9-18,24-27,36-37H,19-23H2,1-8H3;2*1H;/p-2
InChIKeyDVAJUGZZZYEOAT-UHFFFAOYSA-L
MW683.71 g/mol
LogP2.61
Rot. Bonds14

About N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride

N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride (PubChem CID 18441374) has the molecular formula C34H50Cl2N4Tc-2 and a molecular weight of 683.71 g/mol. Its IUPAC name is N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride.

Molecular Properties

Compound NameN'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
PubChem CID18441374
Molecular FormulaC34H50Cl2N4Tc-2
Molecular Weight683.71 g/mol
Exact Mass681.25
IUPAC NameN'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
SMILESCC(C)c1cccc(C(C)C)c1NCCN(CCNc1c(C(C)C)cccc1C(C)C)Cc1ccccn1.[Cl-].[Cl-].[Tc]
InChIInChI=1S/C34H50N4.2ClH.Tc/c1-24(2)29-14-11-15-30(25(3)4)33(29)36-19-21-38(23-28-13-9-10-18-35-28)22-20-37-34-31(26(5)6)16-12-17-32(34)27(7)8;;;/h9-18,24-27,36-37H,19-23H2,1-8H3;2*1H;/p-2
InChIKeyDVAJUGZZZYEOAT-UHFFFAOYSA-L
XLogP2.61
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride with MolForge

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Related Compounds

N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
copper;N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441251
cobalt(2+);N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;dibromide
CID 18441101
cobalt(2+);N-(2,6-dimethylphenyl)-N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441636
N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441010
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
CID 18441534
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide
CID 18441476
iron(2+);propan-2-ol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;diisothiocyanate
CID 139136103

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride?
The IUPAC name of N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride (CID 18441374) is N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride.
What is the SMILES notation for N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride?
The canonical SMILES for N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride is CC(C)c1cccc(C(C)C)c1NCCN(CCNc1c(C(C)C)cccc1C(C)C)Cc1ccccn1.[Cl-].[Cl-].[Tc].
What is the InChIKey of N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride?
The InChIKey is DVAJUGZZZYEOAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H50N4.2ClH.Tc/c1-24(2)29-14-11-15-30(25(3)4)33(29)36-19-21-38(23-28-13-9-10-18-35-28)22-20-37-34-31(26(5)6)16-12-17-32(34)27(7)8;;;/h9-18,24-27,36-37H,19-23H2,1-8H3;2*1H;/p-2.
What are the key properties of N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride?
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride has a molecular weight of 683.71 g/mol, XLogP of 2.61, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride is sourced from PubChem (CID 18441374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).