N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine

C34H50N4 — CID 18441010

IUPACN'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(NCCN(CCNc2c(CC)cc(CC)cc2CC)Cc2ccccn2)c(CC)c1
InChIInChI=1S/C34H50N4/c1-7-26-21-28(9-3)33(29(10-4)22-26)36-17-19-38(25-32-15-13-14-16-35-32)20-18-37-34-30(11-5)23-27(8-2)24-31(34)12-6/h13-16,21-24,36-37H,7-12,17-20,25H2,1-6H3
InChIKeyNYGGRLUHLNVVPW-UHFFFAOYSA-N
MW514.80 g/mol
LogP7.48
Rot. Bonds16

About N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine

N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine (PubChem CID 18441010) has the molecular formula C34H50N4 and a molecular weight of 514.80 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
PubChem CID18441010
Molecular FormulaC34H50N4
Molecular Weight514.80 g/mol
Exact Mass514.40
IUPAC NameN'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(NCCN(CCNc2c(CC)cc(CC)cc2CC)Cc2ccccn2)c(CC)c1
InChIInChI=1S/C34H50N4/c1-7-26-21-28(9-3)33(29(10-4)22-26)36-17-19-38(25-32-15-13-14-16-35-32)20-18-37-34-30(11-5)23-27(8-2)24-31(34)12-6/h13-16,21-24,36-37H,7-12,17-20,25H2,1-6H3
InChIKeyNYGGRLUHLNVVPW-UHFFFAOYSA-N
XLogP7.48
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
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
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'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
CID 18441534
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
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
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,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
CID 18441635
N-(2,4-dimethylphenyl)-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);dibromide
CID 21097706

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine (CID 18441010) is N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine is CCc1cc(CC)c(NCCN(CCNc2c(CC)cc(CC)cc2CC)Cc2ccccn2)c(CC)c1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The InChIKey is NYGGRLUHLNVVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4/c1-7-26-21-28(9-3)33(29(10-4)22-26)36-17-19-38(25-32-15-13-14-16-35-32)20-18-37-34-30(11-5)23-27(8-2)24-31(34)12-6/h13-16,21-24,36-37H,7-12,17-20,25H2,1-6H3.
What are the key properties of N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine has a molecular weight of 514.80 g/mol, XLogP of 7.48, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 18441010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).