1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine

C9H14N2 — CID 142903313

IUPAC1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine
SMILESCNN(C)C1=CCC=CC=C1
InChIInChI=1S/C9H14N2/c1-10-11(2)9-7-5-3-4-6-8-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyQZKBNGYZAOFBJI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine

1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine (PubChem CID 142903313) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine
PubChem CID142903313
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine
SMILESCNN(C)C1=CCC=CC=C1
InChIInChI=1S/C9H14N2/c1-10-11(2)9-7-5-3-4-6-8-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyQZKBNGYZAOFBJI-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.45
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-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine?
The IUPAC name of 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine (CID 142903313) is 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine.
What is the SMILES notation for 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine?
The canonical SMILES for 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine is CNN(C)C1=CCC=CC=C1.
What is the InChIKey of 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine?
The InChIKey is QZKBNGYZAOFBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-11(2)9-7-5-3-4-6-8-9/h3-5,7-8,10H,6H2,1-2H3.
What are the key properties of 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine?
1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine has a molecular weight of 150.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine is sourced from PubChem (CID 142903313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).