methyl 2-(2,2-dimethylhydrazinyl)hexanoate

C9H20N2O2 — CID 103260976

IUPACmethyl 2-(2,2-dimethylhydrazinyl)hexanoate
SMILESCCCCC(NN(C)C)C(=O)OC
InChIInChI=1S/C9H20N2O2/c1-5-6-7-8(9(12)13-4)10-11(2)3/h8,10H,5-7H2,1-4H3
InChIKeyKIXLRZDFIVVREB-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.78
Rot. Bonds6

About methyl 2-(2,2-dimethylhydrazinyl)hexanoate

methyl 2-(2,2-dimethylhydrazinyl)hexanoate (PubChem CID 103260976) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylhydrazinyl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylhydrazinyl)hexanoate
PubChem CID103260976
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl 2-(2,2-dimethylhydrazinyl)hexanoate
SMILESCCCCC(NN(C)C)C(=O)OC
InChIInChI=1S/C9H20N2O2/c1-5-6-7-8(9(12)13-4)10-11(2)3/h8,10H,5-7H2,1-4H3
InChIKeyKIXLRZDFIVVREB-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
methyl (2S)-2-(2-methylhexanoylamino)pent-4-enoate
CID 87461138
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylhydrazinyl)hexanoate?
The IUPAC name of methyl 2-(2,2-dimethylhydrazinyl)hexanoate (CID 103260976) is methyl 2-(2,2-dimethylhydrazinyl)hexanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylhydrazinyl)hexanoate?
The canonical SMILES for methyl 2-(2,2-dimethylhydrazinyl)hexanoate is CCCCC(NN(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2,2-dimethylhydrazinyl)hexanoate?
The InChIKey is KIXLRZDFIVVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-6-7-8(9(12)13-4)10-11(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylhydrazinyl)hexanoate?
methyl 2-(2,2-dimethylhydrazinyl)hexanoate has a molecular weight of 188.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylhydrazinyl)hexanoate is sourced from PubChem (CID 103260976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).