3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide

C10H21N3O — CID 130913539

IUPAC3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC1(C)CN(CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C10H21N3O/c1-9(2)5-13(6-9)7-10(3,4)8(14)12-11/h5-7,11H2,1-4H3,(H,12,14)
InChIKeyJKHZGAHKDLLLHE-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.34
Rot. Bonds3

About 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide

3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 130913539) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID130913539
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC1(C)CN(CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C10H21N3O/c1-9(2)5-13(6-9)7-10(3,4)8(14)12-11/h5-7,11H2,1-4H3,(H,12,14)
InChIKeyJKHZGAHKDLLLHE-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
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-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide (CID 130913539) is 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide is CC1(C)CN(CC(C)(C)C(=O)NN)C1.
What is the InChIKey of 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is JKHZGAHKDLLLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)5-13(6-9)7-10(3,4)8(14)12-11/h5-7,11H2,1-4H3,(H,12,14).
What are the key properties of 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 130913539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).