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

C12H27N3O2 — CID 63577318

IUPAC4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide
SMILESCCC(CC)N(CCCC(=O)NN)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(5-2)15(9-10-17-3)8-6-7-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyFYGJLLAWMVDXAM-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.89
Rot. Bonds10

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

4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide (PubChem CID 63577318) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide
PubChem CID63577318
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide
SMILESCCC(CC)N(CCCC(=O)NN)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(5-2)15(9-10-17-3)8-6-7-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyFYGJLLAWMVDXAM-UHFFFAOYSA-N
XLogP0.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.89
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]butanehydrazide?
The IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide (CID 63577318) is 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide.
What is the SMILES notation for 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide?
The canonical SMILES for 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide is CCC(CC)N(CCCC(=O)NN)CCOC.
What is the InChIKey of 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide?
The InChIKey is FYGJLLAWMVDXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-11(5-2)15(9-10-17-3)8-6-7-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16).
What are the key properties of 4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide?
4-[2-methoxyethyl(pentan-3-yl)amino]butanehydrazide has a molecular weight of 245.37 g/mol, XLogP of 0.89, 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]butanehydrazide is sourced from PubChem (CID 63577318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).