2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine

C6H12N2 — CID 134836119

IUPAC2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine
SMILESC=C/C=C/NN(C)C
InChIInChI=1S/C6H12N2/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+
InChIKeyKKBXTIRHILMGRU-AATRIKPKSA-N
MW112.18 g/mol
LogP0.75
Rot. Bonds3

About 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine

2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine (PubChem CID 134836119) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine
PubChem CID134836119
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine
SMILESC=C/C=C/NN(C)C
InChIInChI=1S/C6H12N2/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+
InChIKeyKKBXTIRHILMGRU-AATRIKPKSA-N
XLogP0.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine (CID 134836119) is 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine is C=C/C=C/NN(C)C.
What is the InChIKey of 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine?
The InChIKey is KKBXTIRHILMGRU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+.
What are the key properties of 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine?
2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine has a molecular weight of 112.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-buta-1,3-dienyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 134836119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).