1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine

C26H38N2 — CID 174029032

IUPAC1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine
SMILESCCN(NC1CCCCCCCCCC1)C1=C/C=C2/CC2=C/C=C\C=C/C=C1
InChIInChI=1S/C26H38N2/c1-2-28(27-25-17-13-9-5-3-4-6-10-14-18-25)26-19-15-11-7-8-12-16-23-22-24(23)20-21-26/h7-8,11-12,15-16,19-21,25,27H,2-6,9-10,13-14,17-18,22H2,1H3/b8-7-,11-7-,12-8-,15-11?,16-12?,19-15?,21-20?,23-16?,24-20-,26-19?,26-21?
InChIKeyUUIUHSOGDCZTOC-OQURTLEYSA-N
MW378.60 g/mol
LogP6.92
Rot. Bonds4

About 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine

1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine (PubChem CID 174029032) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine.

Molecular Properties

Compound Name1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine
PubChem CID174029032
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine
SMILESCCN(NC1CCCCCCCCCC1)C1=C/C=C2/CC2=C/C=C\C=C/C=C1
InChIInChI=1S/C26H38N2/c1-2-28(27-25-17-13-9-5-3-4-6-10-14-18-25)26-19-15-11-7-8-12-16-23-22-24(23)20-21-26/h7-8,11-12,15-16,19-21,25,27H,2-6,9-10,13-14,17-18,22H2,1H3/b8-7-,11-7-,12-8-,15-11?,16-12?,19-15?,21-20?,23-16?,24-20-,26-19?,26-21?
InChIKeyUUIUHSOGDCZTOC-OQURTLEYSA-N
XLogP6.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine?
The IUPAC name of 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine (CID 174029032) is 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine.
What is the SMILES notation for 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine?
The canonical SMILES for 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine is CCN(NC1CCCCCCCCCC1)C1=C/C=C2/CC2=C/C=C\C=C/C=C1.
What is the InChIKey of 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine?
The InChIKey is UUIUHSOGDCZTOC-OQURTLEYSA-N. The full InChI is InChI=1S/C26H38N2/c1-2-28(27-25-17-13-9-5-3-4-6-10-14-18-25)26-19-15-11-7-8-12-16-23-22-24(23)20-21-26/h7-8,11-12,15-16,19-21,25,27H,2-6,9-10,13-14,17-18,22H2,1H3/b8-7-,11-7-,12-8-,15-11?,16-12?,19-15?,21-20?,23-16?,24-20-,26-19?,26-21?.
What are the key properties of 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine?
1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine has a molecular weight of 378.60 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,7Z,9Z)-4-bicyclo[10.1.0]trideca-1,3,5,7,9,11-hexaenyl]-2-cycloundecyl-1-ethylhydrazine is sourced from PubChem (CID 174029032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).