3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide

C12H25N3O2 — CID 79408477

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC1CCCO1)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H25N3O2/c1-4-15(8-11-6-5-7-17-11)10(3)9(2)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyWTULVDIXFBYXKB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.50
Rot. Bonds6

About 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide

3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide (PubChem CID 79408477) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide
PubChem CID79408477
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC1CCCO1)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H25N3O2/c1-4-15(8-11-6-5-7-17-11)10(3)9(2)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyWTULVDIXFBYXKB-UHFFFAOYSA-N
XLogP0.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide (CID 79408477) is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide is CCN(CC1CCCO1)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide?
The InChIKey is WTULVDIXFBYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-15(8-11-6-5-7-17-11)10(3)9(2)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide?
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).