3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide

C10H23N3O — CID 63578194

IUPAC3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-8(6-9(14)12-11)13(5)7-10(2,3)4/h8H,6-7,11H2,1-5H3,(H,12,14)
InChIKeySXMADVTYHFYZDB-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.73
Rot. Bonds4

About 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide

3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide (PubChem CID 63578194) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
PubChem CID63578194
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-8(6-9(14)12-11)13(5)7-10(2,3)4/h8H,6-7,11H2,1-5H3,(H,12,14)
InChIKeySXMADVTYHFYZDB-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
3-phosphanylbutanehydrazide
CID 163485274
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
3,5,5-trimethylhexanehydrazide
CID 142619235
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
CID 63583760
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide (CID 63578194) is 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide?
The InChIKey is SXMADVTYHFYZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(6-9(14)12-11)13(5)7-10(2,3)4/h8H,6-7,11H2,1-5H3,(H,12,14).
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide?
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide has a molecular weight of 201.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63578194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).