(2-butan-2-ylhydrazinyl)azanium

C4H14N3+ — CID 20740959

IUPAC(2-butan-2-ylhydrazinyl)azanium
SMILESCCC(C)NN[NH3+]
InChIInChI=1S/C4H13N3/c1-3-4(2)6-7-5/h4,6-7H,3,5H2,1-2H3/p+1
InChIKeyXQAMKNGYYPEZDE-UHFFFAOYSA-O
MW104.18 g/mol
LogP-0.96
Rot. Bonds3

About (2-butan-2-ylhydrazinyl)azanium

(2-butan-2-ylhydrazinyl)azanium (PubChem CID 20740959) has the molecular formula C4H14N3+ and a molecular weight of 104.18 g/mol. Its IUPAC name is (2-butan-2-ylhydrazinyl)azanium.

Molecular Properties

Compound Name(2-butan-2-ylhydrazinyl)azanium
PubChem CID20740959
Molecular FormulaC4H14N3+
Molecular Weight104.18 g/mol
Exact Mass104.12
IUPAC Name(2-butan-2-ylhydrazinyl)azanium
SMILESCCC(C)NN[NH3+]
InChIInChI=1S/C4H13N3/c1-3-4(2)6-7-5/h4,6-7H,3,5H2,1-2H3/p+1
InChIKeyXQAMKNGYYPEZDE-UHFFFAOYSA-O
XLogP-0.96
TPSA51.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylhydrazinyl)azanium?
The IUPAC name of (2-butan-2-ylhydrazinyl)azanium (CID 20740959) is (2-butan-2-ylhydrazinyl)azanium.
What is the SMILES notation for (2-butan-2-ylhydrazinyl)azanium?
The canonical SMILES for (2-butan-2-ylhydrazinyl)azanium is CCC(C)NN[NH3+].
What is the InChIKey of (2-butan-2-ylhydrazinyl)azanium?
The InChIKey is XQAMKNGYYPEZDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H13N3/c1-3-4(2)6-7-5/h4,6-7H,3,5H2,1-2H3/p+1.
What are the key properties of (2-butan-2-ylhydrazinyl)azanium?
(2-butan-2-ylhydrazinyl)azanium has a molecular weight of 104.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylhydrazinyl)azanium is sourced from PubChem (CID 20740959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).