5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide

C12H25N3O2 — CID 63578014

IUPAC5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCN(CC1CCC(C(=O)NN)O1)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)8-15(4)7-9-5-6-10(17-9)11(16)14-13/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyAJHUOVXEVVIEOK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.50
Rot. Bonds4

About 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide

5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide (PubChem CID 63578014) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
PubChem CID63578014
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCN(CC1CCC(C(=O)NN)O1)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)8-15(4)7-9-5-6-10(17-9)11(16)14-13/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyAJHUOVXEVVIEOK-UHFFFAOYSA-N
XLogP0.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
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

5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583144
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
CID 82957880
5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63583878
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide (CID 63578014) is 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide is CN(CC1CCC(C(=O)NN)O1)CC(C)(C)C.
What is the InChIKey of 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide?
The InChIKey is AJHUOVXEVVIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)8-15(4)7-9-5-6-10(17-9)11(16)14-13/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide?
5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63578014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).