3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide

C9H21N3O2 — CID 79626659

IUPAC3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCCN(CCO)CC(C)(C)C(=O)NN
InChIInChI=1S/C9H21N3O2/c1-4-12(5-6-13)7-9(2,3)8(14)11-10/h13H,4-7,10H2,1-3H3,(H,11,14)
InChIKeyNBUVSKVVWSSYRU-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.68
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide

3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide (PubChem CID 79626659) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
PubChem CID79626659
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCCN(CCO)CC(C)(C)C(=O)NN
InChIInChI=1S/C9H21N3O2/c1-4-12(5-6-13)7-9(2,3)8(14)11-10/h13H,4-7,10H2,1-3H3,(H,11,14)
InChIKeyNBUVSKVVWSSYRU-UHFFFAOYSA-N
XLogP-0.68
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.68
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]-2,2-dimethylpropanehydrazide
CID 79630779
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626181
3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide
CID 79630977
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide
CID 79630687
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
2-[ethyl(methyl)amino]-2-methylpropanehydrazide
CID 130636692
3-[ethyl(2-hydroxyethyl)amino]propanamide
CID 39248219
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide (CID 79626659) is 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide is CCN(CCO)CC(C)(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide?
The InChIKey is NBUVSKVVWSSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-12(5-6-13)7-9(2,3)8(14)11-10/h13H,4-7,10H2,1-3H3,(H,11,14).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide?
3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide has a molecular weight of 203.29 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79626659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).