4-[ethyl(2-methoxyethyl)amino]butanehydrazide

C9H21N3O2 — CID 63584044

IUPAC4-[ethyl(2-methoxyethyl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)CCOC
InChIInChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyJEESJBFVEGIYMV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.28
Rot. Bonds8

About 4-[ethyl(2-methoxyethyl)amino]butanehydrazide

4-[ethyl(2-methoxyethyl)amino]butanehydrazide (PubChem CID 63584044) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[ethyl(2-methoxyethyl)amino]butanehydrazide
PubChem CID63584044
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name4-[ethyl(2-methoxyethyl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)CCOC
InChIInChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyJEESJBFVEGIYMV-UHFFFAOYSA-N
XLogP-0.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.28
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-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide (CID 63584044) is 4-[ethyl(2-methoxyethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide is CCN(CCCC(=O)NN)CCOC.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The InChIKey is JEESJBFVEGIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
4-[ethyl(2-methoxyethyl)amino]butanehydrazide has a molecular weight of 203.29 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide is sourced from PubChem (CID 63584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).