3-amino-2-methylpropanehydrazide

C4H11N3O — CID 14913214

IUPAC3-amino-2-methylpropanehydrazide
SMILESCC(CN)C(=O)NN
InChIInChI=1S/C4H11N3O/c1-3(2-5)4(8)7-6/h3H,2,5-6H2,1H3,(H,7,8)
InChIKeyNHOBZHDCYYTFBN-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.43
Rot. Bonds2

About 3-amino-2-methylpropanehydrazide

3-amino-2-methylpropanehydrazide (PubChem CID 14913214) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-amino-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-2-methylpropanehydrazide
PubChem CID14913214
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3-amino-2-methylpropanehydrazide
SMILESCC(CN)C(=O)NN
InChIInChI=1S/C4H11N3O/c1-3(2-5)4(8)7-6/h3H,2,5-6H2,1H3,(H,7,8)
InChIKeyNHOBZHDCYYTFBN-UHFFFAOYSA-N
XLogP-1.43
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 3-amino-2-methylpropanehydrazide?
The IUPAC name of 3-amino-2-methylpropanehydrazide (CID 14913214) is 3-amino-2-methylpropanehydrazide.
What is the SMILES notation for 3-amino-2-methylpropanehydrazide?
The canonical SMILES for 3-amino-2-methylpropanehydrazide is CC(CN)C(=O)NN.
What is the InChIKey of 3-amino-2-methylpropanehydrazide?
The InChIKey is NHOBZHDCYYTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3(2-5)4(8)7-6/h3H,2,5-6H2,1H3,(H,7,8).
What are the key properties of 3-amino-2-methylpropanehydrazide?
3-amino-2-methylpropanehydrazide has a molecular weight of 117.15 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropanehydrazide is sourced from PubChem (CID 14913214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).