1-butyl-1-phenylhydrazine

C10H16N2 — CID 13042771

IUPAC1-butyl-1-phenylhydrazine
SMILESCCCCN(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9,11H2,1H3
InChIKeyVKXUWCNLFZXHEF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.17
Rot. Bonds4

About 1-butyl-1-phenylhydrazine

1-butyl-1-phenylhydrazine (PubChem CID 13042771) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-butyl-1-phenylhydrazine.

Molecular Properties

Compound Name1-butyl-1-phenylhydrazine
PubChem CID13042771
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-butyl-1-phenylhydrazine
SMILESCCCCN(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9,11H2,1H3
InChIKeyVKXUWCNLFZXHEF-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-butyl-1-phenylhydrazine?
The IUPAC name of 1-butyl-1-phenylhydrazine (CID 13042771) is 1-butyl-1-phenylhydrazine.
What is the SMILES notation for 1-butyl-1-phenylhydrazine?
The canonical SMILES for 1-butyl-1-phenylhydrazine is CCCCN(N)c1ccccc1.
What is the InChIKey of 1-butyl-1-phenylhydrazine?
The InChIKey is VKXUWCNLFZXHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9,11H2,1H3.
What are the key properties of 1-butyl-1-phenylhydrazine?
1-butyl-1-phenylhydrazine has a molecular weight of 164.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-phenylhydrazine is sourced from PubChem (CID 13042771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).