1-butan-2-yl-1-ethylhydrazine

C6H16N2 — CID 560082

IUPAC1-butan-2-yl-1-ethylhydrazine
SMILESCCC(C)N(N)CC
InChIInChI=1S/C6H16N2/c1-4-6(3)8(7)5-2/h6H,4-5,7H2,1-3H3
InChIKeyJETSNSHFMGMDDQ-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.98
Rot. Bonds3

About 1-butan-2-yl-1-ethylhydrazine

1-butan-2-yl-1-ethylhydrazine (PubChem CID 560082) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 1-butan-2-yl-1-ethylhydrazine.

Molecular Properties

Compound Name1-butan-2-yl-1-ethylhydrazine
PubChem CID560082
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name1-butan-2-yl-1-ethylhydrazine
SMILESCCC(C)N(N)CC
InChIInChI=1S/C6H16N2/c1-4-6(3)8(7)5-2/h6H,4-5,7H2,1-3H3
InChIKeyJETSNSHFMGMDDQ-UHFFFAOYSA-N
XLogP0.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.98
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-butan-2-yl-1-ethylhydrazine?
The IUPAC name of 1-butan-2-yl-1-ethylhydrazine (CID 560082) is 1-butan-2-yl-1-ethylhydrazine.
What is the SMILES notation for 1-butan-2-yl-1-ethylhydrazine?
The canonical SMILES for 1-butan-2-yl-1-ethylhydrazine is CCC(C)N(N)CC.
What is the InChIKey of 1-butan-2-yl-1-ethylhydrazine?
The InChIKey is JETSNSHFMGMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-4-6(3)8(7)5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-butan-2-yl-1-ethylhydrazine?
1-butan-2-yl-1-ethylhydrazine has a molecular weight of 116.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-ethylhydrazine is sourced from PubChem (CID 560082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).