1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane

C25H36N2 — CID 155718706

IUPAC1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane
SMILESCC.CC.CNN(C)/C1=C(\C)c2ccccc2CC=C(C)c2ccccc21
InChIInChI=1S/C21H24N2.2C2H6/c1-15-13-14-17-9-5-6-11-19(17)16(2)21(23(4)22-3)20-12-8-7-10-18(15)20;2*1-2/h5-13,22H,14H2,1-4H3;2*1-2H3/b15-13?,21-16+;;
InChIKeyDFFADMDGCMGGRV-XTVWFJLUSA-N
MW364.58 g/mol
LogP6.65
Rot. Bonds2

About 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane

1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane (PubChem CID 155718706) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane.

Molecular Properties

Compound Name1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane
PubChem CID155718706
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane
SMILESCC.CC.CNN(C)/C1=C(\C)c2ccccc2CC=C(C)c2ccccc21
InChIInChI=1S/C21H24N2.2C2H6/c1-15-13-14-17-9-5-6-11-19(17)16(2)21(23(4)22-3)20-12-8-7-10-18(15)20;2*1-2/h5-13,22H,14H2,1-4H3;2*1-2H3/b15-13?,21-16+;;
InChIKeyDFFADMDGCMGGRV-XTVWFJLUSA-N
XLogP6.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane?
The IUPAC name of 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane (CID 155718706) is 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane.
What is the SMILES notation for 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane?
The canonical SMILES for 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane is CC.CC.CNN(C)/C1=C(\C)c2ccccc2CC=C(C)c2ccccc21.
What is the InChIKey of 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane?
The InChIKey is DFFADMDGCMGGRV-XTVWFJLUSA-N. The full InChI is InChI=1S/C21H24N2.2C2H6/c1-15-13-14-17-9-5-6-11-19(17)16(2)21(23(4)22-3)20-12-8-7-10-18(15)20;2*1-2/h5-13,22H,14H2,1-4H3;2*1-2H3/b15-13?,21-16+;;.
What are the key properties of 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane?
1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane has a molecular weight of 364.58 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,12-dimethyl-2-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,11,13,15-octaenyl]-1,2-dimethylhydrazine;ethane is sourced from PubChem (CID 155718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).