1-but-3-en-2-yl-2-ethylhydrazine

C6H14N2 — CID 91157013

IUPAC1-but-3-en-2-yl-2-ethylhydrazine
SMILESC=CC(C)NNCC
InChIInChI=1S/C6H14N2/c1-4-6(3)8-7-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyCFFUXDKHYYPUIS-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.68
Rot. Bonds4

About 1-but-3-en-2-yl-2-ethylhydrazine

1-but-3-en-2-yl-2-ethylhydrazine (PubChem CID 91157013) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-ethylhydrazine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-ethylhydrazine
PubChem CID91157013
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-but-3-en-2-yl-2-ethylhydrazine
SMILESC=CC(C)NNCC
InChIInChI=1S/C6H14N2/c1-4-6(3)8-7-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyCFFUXDKHYYPUIS-UHFFFAOYSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-ethylhydrazine?
The IUPAC name of 1-but-3-en-2-yl-2-ethylhydrazine (CID 91157013) is 1-but-3-en-2-yl-2-ethylhydrazine.
What is the SMILES notation for 1-but-3-en-2-yl-2-ethylhydrazine?
The canonical SMILES for 1-but-3-en-2-yl-2-ethylhydrazine is C=CC(C)NNCC.
What is the InChIKey of 1-but-3-en-2-yl-2-ethylhydrazine?
The InChIKey is CFFUXDKHYYPUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(3)8-7-5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-2-ethylhydrazine?
1-but-3-en-2-yl-2-ethylhydrazine has a molecular weight of 114.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-ethylhydrazine is sourced from PubChem (CID 91157013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).