2-[bis(2-hydroxyethyl)amino]butanehydrazide

C8H19N3O3 — CID 63573033

IUPAC2-[bis(2-hydroxyethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CCO)CCO
InChIInChI=1S/C8H19N3O3/c1-2-7(8(14)10-9)11(3-5-12)4-6-13/h7,12-13H,2-6,9H2,1H3,(H,10,14)
InChIKeyNVHJHXWVKKIIHG-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.96
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]butanehydrazide

2-[bis(2-hydroxyethyl)amino]butanehydrazide (PubChem CID 63573033) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]butanehydrazide
PubChem CID63573033
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CCO)CCO
InChIInChI=1S/C8H19N3O3/c1-2-7(8(14)10-9)11(3-5-12)4-6-13/h7,12-13H,2-6,9H2,1H3,(H,10,14)
InChIKeyNVHJHXWVKKIIHG-UHFFFAOYSA-N
XLogP-1.96
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
2-[bis(2-methylpropyl)amino]butanehydrazide
CID 63585587
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674
2-[butan-2-yl(ethyl)amino]butanehydrazide
CID 63571401
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]butanehydrazide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]butanehydrazide (CID 63573033) is 2-[bis(2-hydroxyethyl)amino]butanehydrazide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]butanehydrazide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]butanehydrazide is CCC(C(=O)NN)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]butanehydrazide?
The InChIKey is NVHJHXWVKKIIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-2-7(8(14)10-9)11(3-5-12)4-6-13/h7,12-13H,2-6,9H2,1H3,(H,10,14).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]butanehydrazide?
2-[bis(2-hydroxyethyl)amino]butanehydrazide has a molecular weight of 205.26 g/mol, XLogP of -1.96, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]butanehydrazide is sourced from PubChem (CID 63573033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).