3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide

C10H21N3O — CID 63572855

IUPAC3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
SMILESCC1CCN(C(C(=O)NN)C(C)C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)9(10(14)12-11)13-5-4-8(3)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyBOYZLXHTAHTPCQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.34
Rot. Bonds3

About 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide

3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide (PubChem CID 63572855) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
PubChem CID63572855
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
SMILESCC1CCN(C(C(=O)NN)C(C)C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)9(10(14)12-11)13-5-4-8(3)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyBOYZLXHTAHTPCQ-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-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide?
The IUPAC name of 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide (CID 63572855) is 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide.
What is the SMILES notation for 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide?
The canonical SMILES for 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide is CC1CCN(C(C(=O)NN)C(C)C)C1.
What is the InChIKey of 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide?
The InChIKey is BOYZLXHTAHTPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)9(10(14)12-11)13-5-4-8(3)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of 3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide?
3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide 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-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide is sourced from PubChem (CID 63572855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).