2-[butan-2-yl(ethyl)amino]butanehydrazide

C10H23N3O — CID 63571401

IUPAC2-[butan-2-yl(ethyl)amino]butanehydrazide
SMILESCCC(C)N(CC)C(CC)C(=O)NN
InChIInChI=1S/C10H23N3O/c1-5-8(4)13(7-3)9(6-2)10(14)12-11/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyMLCSWZBAIGFGKZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.88
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]butanehydrazide

2-[butan-2-yl(ethyl)amino]butanehydrazide (PubChem CID 63571401) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]butanehydrazide
PubChem CID63571401
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-[butan-2-yl(ethyl)amino]butanehydrazide
SMILESCCC(C)N(CC)C(CC)C(=O)NN
InChIInChI=1S/C10H23N3O/c1-5-8(4)13(7-3)9(6-2)10(14)12-11/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyMLCSWZBAIGFGKZ-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]butanehydrazide?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]butanehydrazide (CID 63571401) is 2-[butan-2-yl(ethyl)amino]butanehydrazide.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]butanehydrazide?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]butanehydrazide is CCC(C)N(CC)C(CC)C(=O)NN.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]butanehydrazide?
The InChIKey is MLCSWZBAIGFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-8(4)13(7-3)9(6-2)10(14)12-11/h8-9H,5-7,11H2,1-4H3,(H,12,14).
What are the key properties of 2-[butan-2-yl(ethyl)amino]butanehydrazide?
2-[butan-2-yl(ethyl)amino]butanehydrazide has a molecular weight of 201.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]butanehydrazide is sourced from PubChem (CID 63571401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).