3-[methyl(propan-2-yl)amino]butanehydrazide

C8H19N3O — CID 63568498

IUPAC3-[methyl(propan-2-yl)amino]butanehydrazide
SMILESCC(C)N(C)C(C)CC(=O)NN
InChIInChI=1S/C8H19N3O/c1-6(2)11(4)7(3)5-8(12)10-9/h6-7H,5,9H2,1-4H3,(H,10,12)
InChIKeyGCYFLIMDMUMUKG-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.10
Rot. Bonds4

About 3-[methyl(propan-2-yl)amino]butanehydrazide

3-[methyl(propan-2-yl)amino]butanehydrazide (PubChem CID 63568498) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]butanehydrazide
PubChem CID63568498
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[methyl(propan-2-yl)amino]butanehydrazide
SMILESCC(C)N(C)C(C)CC(=O)NN
InChIInChI=1S/C8H19N3O/c1-6(2)11(4)7(3)5-8(12)10-9/h6-7H,5,9H2,1-4H3,(H,10,12)
InChIKeyGCYFLIMDMUMUKG-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.10
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(propan-2-yl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(propan-2-yl)amino]butanehydrazide (CID 63568498) is 3-[methyl(propan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]butanehydrazide is CC(C)N(C)C(C)CC(=O)NN.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]butanehydrazide?
The InChIKey is GCYFLIMDMUMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)11(4)7(3)5-8(12)10-9/h6-7H,5,9H2,1-4H3,(H,10,12).
What are the key properties of 3-[methyl(propan-2-yl)amino]butanehydrazide?
3-[methyl(propan-2-yl)amino]butanehydrazide has a molecular weight of 173.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 63568498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).