3-amino-2,2-dimethylpropanehydrazide

C5H13N3O — CID 115426740

IUPAC3-amino-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN)C(=O)NN
InChIInChI=1S/C5H13N3O/c1-5(2,3-6)4(9)8-7/h3,6-7H2,1-2H3,(H,8,9)
InChIKeyUXJGRQVIHZQUFK-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.04
Rot. Bonds2

About 3-amino-2,2-dimethylpropanehydrazide

3-amino-2,2-dimethylpropanehydrazide (PubChem CID 115426740) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-amino-2,2-dimethylpropanehydrazide
PubChem CID115426740
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name3-amino-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN)C(=O)NN
InChIInChI=1S/C5H13N3O/c1-5(2,3-6)4(9)8-7/h3,6-7H2,1-2H3,(H,8,9)
InChIKeyUXJGRQVIHZQUFK-UHFFFAOYSA-N
XLogP-1.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.04
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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Related Compounds

3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
CID 115426741
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
2-amino-2-methylpropanehydrazide
CID 63991611
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891
3-amino-2,2-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79563054
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
CID 130913539
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-amino-2,2-dimethylpropanehydrazide (CID 115426740) is 3-amino-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-amino-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-amino-2,2-dimethylpropanehydrazide is CC(C)(CN)C(=O)NN.
What is the InChIKey of 3-amino-2,2-dimethylpropanehydrazide?
The InChIKey is UXJGRQVIHZQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-5(2,3-6)4(9)8-7/h3,6-7H2,1-2H3,(H,8,9).
What are the key properties of 3-amino-2,2-dimethylpropanehydrazide?
3-amino-2,2-dimethylpropanehydrazide has a molecular weight of 131.18 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 115426740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).