3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide

C8H19N3O2 — CID 104556549

IUPAC3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
SMILESCC(CN(C)C(C)CO)C(=O)NN
InChIInChI=1S/C8H19N3O2/c1-6(8(13)10-9)4-11(3)7(2)5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13)
InChIKeyFAJVONIHTAXMGD-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.08
Rot. Bonds5

About 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide

3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide (PubChem CID 104556549) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
PubChem CID104556549
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
SMILESCC(CN(C)C(C)CO)C(=O)NN
InChIInChI=1S/C8H19N3O2/c1-6(8(13)10-9)4-11(3)7(2)5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13)
InChIKeyFAJVONIHTAXMGD-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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Related Compounds

2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552494
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
2-methylpentanehydrazide
CID 43183484
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
CID 79858043
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
2-methyl-3-[methyl(2-methylpropyl)amino]butanehydrazide
CID 79409646

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide?
The IUPAC name of 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide (CID 104556549) is 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide?
The canonical SMILES for 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide is CC(CN(C)C(C)CO)C(=O)NN.
What is the InChIKey of 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide?
The InChIKey is FAJVONIHTAXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(8(13)10-9)4-11(3)7(2)5-12/h6-7,12H,4-5,9H2,1-3H3,(H,10,13).
What are the key properties of 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide?
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide 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 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide is sourced from PubChem (CID 104556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).