butyl 2-(2,2-dimethylhydrazinyl)acetate

C8H18N2O2 — CID 83014680

IUPACbutyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCCCCOC(=O)CNN(C)C
InChIInChI=1S/C8H18N2O2/c1-4-5-6-12-8(11)7-9-10(2)3/h9H,4-7H2,1-3H3
InChIKeyBQAWAKBGOHXAKD-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds6

About butyl 2-(2,2-dimethylhydrazinyl)acetate

butyl 2-(2,2-dimethylhydrazinyl)acetate (PubChem CID 83014680) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is butyl 2-(2,2-dimethylhydrazinyl)acetate.

Molecular Properties

Compound Namebutyl 2-(2,2-dimethylhydrazinyl)acetate
PubChem CID83014680
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namebutyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCCCCOC(=O)CNN(C)C
InChIInChI=1S/C8H18N2O2/c1-4-5-6-12-8(11)7-9-10(2)3/h9H,4-7H2,1-3H3
InChIKeyBQAWAKBGOHXAKD-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(methylamino)acetate;methane
CID 157477406
butyl 2-(dimethylamino)acetate;methane
CID 157088664
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
butyl 2-(octylamino)acetate
CID 115567498
3-butoxy-3-oxopropanoic acid
CID 21201188
10-O-butyl 1-O-methyl decanedioate
CID 22057000
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
sodium;hydride;pentyl 2-(methylamino)acetate
CID 173079767
butyl 4-(dimethylamino)butanoate
CID 89434908
CID 156540534
CID 156540534
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,2-dimethylhydrazinyl)acetate?
The IUPAC name of butyl 2-(2,2-dimethylhydrazinyl)acetate (CID 83014680) is butyl 2-(2,2-dimethylhydrazinyl)acetate.
What is the SMILES notation for butyl 2-(2,2-dimethylhydrazinyl)acetate?
The canonical SMILES for butyl 2-(2,2-dimethylhydrazinyl)acetate is CCCCOC(=O)CNN(C)C.
What is the InChIKey of butyl 2-(2,2-dimethylhydrazinyl)acetate?
The InChIKey is BQAWAKBGOHXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-5-6-12-8(11)7-9-10(2)3/h9H,4-7H2,1-3H3.
What are the key properties of butyl 2-(2,2-dimethylhydrazinyl)acetate?
butyl 2-(2,2-dimethylhydrazinyl)acetate has a molecular weight of 174.24 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,2-dimethylhydrazinyl)acetate is sourced from PubChem (CID 83014680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).