(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline

C26H42N8O2 — CID 159496915

IUPAC(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline
SMILESCc1c(C)c(C)c(NCCOCCNc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.N/N=N/N=N/N=O
InChIInChI=1S/C26H40N2O.H2N6O/c1-15-17(3)21(7)25(22(8)18(15)4)27-11-13-29-14-12-28-26-23(9)19(5)16(2)20(6)24(26)10;1-2-3-4-5-6-7/h27-28H,11-14H2,1-10H3;(H2,1,3,5,7)
InChIKeyLYWZKJZGAJBFGG-UHFFFAOYSA-N
MW498.68 g/mol
LogP6.67
Rot. Bonds10

About (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline

(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline (PubChem CID 159496915) has the molecular formula C26H42N8O2 and a molecular weight of 498.68 g/mol. Its IUPAC name is (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline
PubChem CID159496915
Molecular FormulaC26H42N8O2
Molecular Weight498.68 g/mol
Exact Mass498.34
IUPAC Name(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline
SMILESCc1c(C)c(C)c(NCCOCCNc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.N/N=N/N=N/N=O
InChIInChI=1S/C26H40N2O.H2N6O/c1-15-17(3)21(7)25(22(8)18(15)4)27-11-13-29-14-12-28-26-23(9)19(5)16(2)20(6)24(26)10;1-2-3-4-5-6-7/h27-28H,11-14H2,1-10H3;(H2,1,3,5,7)
InChIKeyLYWZKJZGAJBFGG-UHFFFAOYSA-N
XLogP6.67
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.68
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline?
The IUPAC name of (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline (CID 159496915) is (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline.
What is the SMILES notation for (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline?
The canonical SMILES for (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline is Cc1c(C)c(C)c(NCCOCCNc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.N/N=N/N=N/N=O.
What is the InChIKey of (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline?
The InChIKey is LYWZKJZGAJBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O.H2N6O/c1-15-17(3)21(7)25(22(8)18(15)4)27-11-13-29-14-12-28-26-23(9)19(5)16(2)20(6)24(26)10;1-2-3-4-5-6-7/h27-28H,11-14H2,1-10H3;(H2,1,3,5,7).
What are the key properties of (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline?
(NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline has a molecular weight of 498.68 g/mol, XLogP of 6.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-hydrazinylidenehydrazinylidene]nitrous amide;2,3,4,5,6-pentamethyl-N-[2-[2-(2,3,4,5,6-pentamethylanilino)ethoxy]ethyl]aniline is sourced from PubChem (CID 159496915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).