1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane

C18H36N2 — CID 144720053

IUPAC1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane
SMILESCC.CC.CC.CNN(C)C/C=C/C1=CC=CCC=C1
InChIInChI=1S/C12H18N2.3C2H6/c1-13-14(2)11-7-10-12-8-5-3-4-6-9-12;3*1-2/h3,5-10,13H,4,11H2,1-2H3;3*1-2H3/b10-7+;;;
InChIKeyFRBDAFKSOKNPJG-ICWQEWPPSA-N
MW280.50 g/mol
LogP5.13
Rot. Bonds4

About 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane

1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane (PubChem CID 144720053) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane.

Molecular Properties

Compound Name1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane
PubChem CID144720053
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane
SMILESCC.CC.CC.CNN(C)C/C=C/C1=CC=CCC=C1
InChIInChI=1S/C12H18N2.3C2H6/c1-13-14(2)11-7-10-12-8-5-3-4-6-9-12;3*1-2/h3,5-10,13H,4,11H2,1-2H3;3*1-2H3/b10-7+;;;
InChIKeyFRBDAFKSOKNPJG-ICWQEWPPSA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.13
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-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane?
The IUPAC name of 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane (CID 144720053) is 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane.
What is the SMILES notation for 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane?
The canonical SMILES for 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane is CC.CC.CC.CNN(C)C/C=C/C1=CC=CCC=C1.
What is the InChIKey of 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane?
The InChIKey is FRBDAFKSOKNPJG-ICWQEWPPSA-N. The full InChI is InChI=1S/C12H18N2.3C2H6/c1-13-14(2)11-7-10-12-8-5-3-4-6-9-12;3*1-2/h3,5-10,13H,4,11H2,1-2H3;3*1-2H3/b10-7+;;;.
What are the key properties of 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane?
1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane has a molecular weight of 280.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclohepta-1,3,6-trien-1-ylprop-2-enyl]-1,2-dimethylhydrazine;ethane is sourced from PubChem (CID 144720053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).