4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide

C13H29N3O2 — CID 55214440

IUPAC4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide
SMILESCCC(CC)N(CCOC)C(C)CCC(=O)NN
InChIInChI=1S/C13H29N3O2/c1-5-12(6-2)16(9-10-18-4)11(3)7-8-13(17)15-14/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyHIARKBNKWGORGD-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.28
Rot. Bonds10

About 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide

4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide (PubChem CID 55214440) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide
PubChem CID55214440
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide
SMILESCCC(CC)N(CCOC)C(C)CCC(=O)NN
InChIInChI=1S/C13H29N3O2/c1-5-12(6-2)16(9-10-18-4)11(3)7-8-13(17)15-14/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyHIARKBNKWGORGD-UHFFFAOYSA-N
XLogP1.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.28
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 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide?
The IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide (CID 55214440) is 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide.
What is the SMILES notation for 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide?
The canonical SMILES for 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide is CCC(CC)N(CCOC)C(C)CCC(=O)NN.
What is the InChIKey of 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide?
The InChIKey is HIARKBNKWGORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-5-12(6-2)16(9-10-18-4)11(3)7-8-13(17)15-14/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide?
4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide has a molecular weight of 259.39 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(pentan-3-yl)amino]pentanehydrazide is sourced from PubChem (CID 55214440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).