1-but-1-en-2-yl-2-propylhydrazine

C7H16N2 — CID 90268205

IUPAC1-but-1-en-2-yl-2-propylhydrazine
SMILESC=C(CC)NNCCC
InChIInChI=1S/C7H16N2/c1-4-6-8-9-7(3)5-2/h8-9H,3-6H2,1-2H3
InChIKeyGWDAIBNUGMXRSG-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.41
Rot. Bonds5

About 1-but-1-en-2-yl-2-propylhydrazine

1-but-1-en-2-yl-2-propylhydrazine (PubChem CID 90268205) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-propylhydrazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-propylhydrazine
PubChem CID90268205
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-but-1-en-2-yl-2-propylhydrazine
SMILESC=C(CC)NNCCC
InChIInChI=1S/C7H16N2/c1-4-6-8-9-7(3)5-2/h8-9H,3-6H2,1-2H3
InChIKeyGWDAIBNUGMXRSG-UHFFFAOYSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-propylhydrazine?
The IUPAC name of 1-but-1-en-2-yl-2-propylhydrazine (CID 90268205) is 1-but-1-en-2-yl-2-propylhydrazine.
What is the SMILES notation for 1-but-1-en-2-yl-2-propylhydrazine?
The canonical SMILES for 1-but-1-en-2-yl-2-propylhydrazine is C=C(CC)NNCCC.
What is the InChIKey of 1-but-1-en-2-yl-2-propylhydrazine?
The InChIKey is GWDAIBNUGMXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-6-8-9-7(3)5-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-propylhydrazine?
1-but-1-en-2-yl-2-propylhydrazine has a molecular weight of 128.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-propylhydrazine is sourced from PubChem (CID 90268205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).