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

C6H12N2 — CID 90210914

IUPAC1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine
SMILESC=C/C=C/NNCC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h3,5-8H,1,4H2,2H3/b6-5+
InChIKeyPNKGZOVBPPVMMH-AATRIKPKSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds4

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

1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine (PubChem CID 90210914) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine
PubChem CID90210914
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine
SMILESC=C/C=C/NNCC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h3,5-8H,1,4H2,2H3/b6-5+
InChIKeyPNKGZOVBPPVMMH-AATRIKPKSA-N
XLogP0.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine (CID 90210914) is 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine is C=C/C=C/NNCC.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine?
The InChIKey is PNKGZOVBPPVMMH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h3,5-8H,1,4H2,2H3/b6-5+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine?
1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine has a molecular weight of 112.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-2-ethylhydrazine is sourced from PubChem (CID 90210914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).