2-but-3-enyl-1,1-dimethylhydrazine

C6H14N2 — CID 19367955

IUPAC2-but-3-enyl-1,1-dimethylhydrazine
SMILESC=CCCNN(C)C
InChIInChI=1S/C6H14N2/c1-4-5-6-7-8(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyXINPRLYNDCLGBP-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.63
Rot. Bonds4

About 2-but-3-enyl-1,1-dimethylhydrazine

2-but-3-enyl-1,1-dimethylhydrazine (PubChem CID 19367955) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-but-3-enyl-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-but-3-enyl-1,1-dimethylhydrazine
PubChem CID19367955
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-but-3-enyl-1,1-dimethylhydrazine
SMILESC=CCCNN(C)C
InChIInChI=1S/C6H14N2/c1-4-5-6-7-8(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyXINPRLYNDCLGBP-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-but-3-enyl-1,1-dimethylhydrazine?
The IUPAC name of 2-but-3-enyl-1,1-dimethylhydrazine (CID 19367955) is 2-but-3-enyl-1,1-dimethylhydrazine.
What is the SMILES notation for 2-but-3-enyl-1,1-dimethylhydrazine?
The canonical SMILES for 2-but-3-enyl-1,1-dimethylhydrazine is C=CCCNN(C)C.
What is the InChIKey of 2-but-3-enyl-1,1-dimethylhydrazine?
The InChIKey is XINPRLYNDCLGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-5-6-7-8(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-but-3-enyl-1,1-dimethylhydrazine?
2-but-3-enyl-1,1-dimethylhydrazine has a molecular weight of 114.19 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1,1-dimethylhydrazine is sourced from PubChem (CID 19367955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).