3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide

C11H25N3O2 — CID 63585174

IUPAC3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
SMILESCCC(CC)N(CCO)CC(C)C(=O)NN
InChIInChI=1S/C11H25N3O2/c1-4-10(5-2)14(6-7-15)8-9(3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyCVJRELFRAIFPJS-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.10
Rot. Bonds8

About 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide

3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide (PubChem CID 63585174) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
PubChem CID63585174
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
SMILESCCC(CC)N(CCO)CC(C)C(=O)NN
InChIInChI=1S/C11H25N3O2/c1-4-10(5-2)14(6-7-15)8-9(3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyCVJRELFRAIFPJS-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.10
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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Related Compounds

3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
hydrazinyl 3-[2-hydroxyethyl(pentan-3-yl)amino]propanoate
CID 66338223
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide?
The IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide (CID 63585174) is 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide?
The canonical SMILES for 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide is CCC(CC)N(CCO)CC(C)C(=O)NN.
What is the InChIKey of 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide?
The InChIKey is CVJRELFRAIFPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-10(5-2)14(6-7-15)8-9(3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16).
What are the key properties of 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide?
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide has a molecular weight of 231.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide is sourced from PubChem (CID 63585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).