2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide

C11H25N3O — CID 63571581

IUPAC2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
SMILESCCC(C)N(CC)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H25N3O/c1-6-9(5)14(7-2)10(8(3)4)11(15)13-12/h8-10H,6-7,12H2,1-5H3,(H,13,15)
InChIKeyDYVMVBIFPPOGHE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.12
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide

2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide (PubChem CID 63571581) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
PubChem CID63571581
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
SMILESCCC(C)N(CC)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H25N3O/c1-6-9(5)14(7-2)10(8(3)4)11(15)13-12/h8-10H,6-7,12H2,1-5H3,(H,13,15)
InChIKeyDYVMVBIFPPOGHE-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide (CID 63571581) is 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide is CCC(C)N(CC)C(C(=O)NN)C(C)C.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide?
The InChIKey is DYVMVBIFPPOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-9(5)14(7-2)10(8(3)4)11(15)13-12/h8-10H,6-7,12H2,1-5H3,(H,13,15).
What are the key properties of 2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide?
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide has a molecular weight of 215.34 g/mol, XLogP of 1.12, 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]-3-methylbutanehydrazide is sourced from PubChem (CID 63571581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).