3-[butyl(ethyl)amino]-2-methylbutanehydrazide

C11H25N3O — CID 79409321

IUPAC3-[butyl(ethyl)amino]-2-methylbutanehydrazide
SMILESCCCCN(CC)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H25N3O/c1-5-7-8-14(6-2)10(4)9(3)11(15)13-12/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZSCPONUBCPIOHH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.12
Rot. Bonds7

About 3-[butyl(ethyl)amino]-2-methylbutanehydrazide

3-[butyl(ethyl)amino]-2-methylbutanehydrazide (PubChem CID 79409321) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-2-methylbutanehydrazide
PubChem CID79409321
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[butyl(ethyl)amino]-2-methylbutanehydrazide
SMILESCCCCN(CC)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H25N3O/c1-5-7-8-14(6-2)10(4)9(3)11(15)13-12/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZSCPONUBCPIOHH-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.12
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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Related Compounds

3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
CID 79408692
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
CID 107206484
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
CID 79409118

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[butyl(ethyl)amino]-2-methylbutanehydrazide (CID 79409321) is 3-[butyl(ethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[butyl(ethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[butyl(ethyl)amino]-2-methylbutanehydrazide is CCCCN(CC)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[butyl(ethyl)amino]-2-methylbutanehydrazide?
The InChIKey is ZSCPONUBCPIOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-7-8-14(6-2)10(4)9(3)11(15)13-12/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 3-[butyl(ethyl)amino]-2-methylbutanehydrazide?
3-[butyl(ethyl)amino]-2-methylbutanehydrazide has a molecular weight of 215.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79409321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).