2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide

C8H19N3O2 — CID 63572653

IUPAC2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CCO
InChIInChI=1S/C8H19N3O2/c1-6(2)7(8(13)10-9)11(3)4-5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13)
InChIKeyTXUDWRWVWMGCJH-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.08
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide

2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide (PubChem CID 63572653) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
PubChem CID63572653
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CCO
InChIInChI=1S/C8H19N3O2/c1-6(2)7(8(13)10-9)11(3)4-5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13)
InChIKeyTXUDWRWVWMGCJH-UHFFFAOYSA-N
XLogP-1.08
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide (CID 63572653) is 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide is CC(C)C(C(=O)NN)N(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide?
The InChIKey is TXUDWRWVWMGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(2)7(8(13)10-9)11(3)4-5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide?
2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide has a molecular weight of 189.26 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide is sourced from PubChem (CID 63572653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).