3-[butyl(methyl)amino]butanehydrazide

C9H21N3O — CID 63568680

IUPAC3-[butyl(methyl)amino]butanehydrazide
SMILESCCCCN(C)C(C)CC(=O)NN
InChIInChI=1S/C9H21N3O/c1-4-5-6-12(3)8(2)7-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyZIRPYOOAKAKHFC-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.49
Rot. Bonds6

About 3-[butyl(methyl)amino]butanehydrazide

3-[butyl(methyl)amino]butanehydrazide (PubChem CID 63568680) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]butanehydrazide
PubChem CID63568680
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[butyl(methyl)amino]butanehydrazide
SMILESCCCCN(C)C(C)CC(=O)NN
InChIInChI=1S/C9H21N3O/c1-4-5-6-12(3)8(2)7-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyZIRPYOOAKAKHFC-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.49
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-[butyl(methyl)amino]butanehydrazide?
The IUPAC name of 3-[butyl(methyl)amino]butanehydrazide (CID 63568680) is 3-[butyl(methyl)amino]butanehydrazide.
What is the SMILES notation for 3-[butyl(methyl)amino]butanehydrazide?
The canonical SMILES for 3-[butyl(methyl)amino]butanehydrazide is CCCCN(C)C(C)CC(=O)NN.
What is the InChIKey of 3-[butyl(methyl)amino]butanehydrazide?
The InChIKey is ZIRPYOOAKAKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-5-6-12(3)8(2)7-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 3-[butyl(methyl)amino]butanehydrazide?
3-[butyl(methyl)amino]butanehydrazide has a molecular weight of 187.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63568680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).