3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide

C11H23N3O — CID 79409006

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCCC1(C)C
InChIInChI=1S/C11H23N3O/c1-8(10(15)13-12)9(2)14-7-5-6-11(14,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyNBHSVBNVAWJIGM-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.88
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide

3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide (PubChem CID 79409006) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
PubChem CID79409006
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCCC1(C)C
InChIInChI=1S/C11H23N3O/c1-8(10(15)13-12)9(2)14-7-5-6-11(14,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyNBHSVBNVAWJIGM-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.88
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'}

Analyze 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide (CID 79409006) is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide is CC(C(=O)NN)C(C)N1CCCC1(C)C.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide?
The InChIKey is NBHSVBNVAWJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(10(15)13-12)9(2)14-7-5-6-11(14,3)4/h8-9H,5-7,12H2,1-4H3,(H,13,15).
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide?
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide has a molecular weight of 213.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide is sourced from PubChem (CID 79409006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).