methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate

C10H21N3O2 — CID 84681171

IUPACmethyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
SMILESCOC(=O)N1CCCCCC1CCNN
InChIInChI=1S/C10H21N3O2/c1-15-10(14)13-8-4-2-3-5-9(13)6-7-12-11/h9,12H,2-8,11H2,1H3
InChIKeyLEILWGQEYFEUAK-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.85
Rot. Bonds3

About methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate

methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate (PubChem CID 84681171) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
PubChem CID84681171
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namemethyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
SMILESCOC(=O)N1CCCCCC1CCNN
InChIInChI=1S/C10H21N3O2/c1-15-10(14)13-8-4-2-3-5-9(13)6-7-12-11/h9,12H,2-8,11H2,1H3
InChIKeyLEILWGQEYFEUAK-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
methyl 2-(2-chloroacetyl)azepane-1-carboxylate
CID 104701440
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
CID 10513498
methyl 2-benzylazepane-1-carboxylate
CID 102314657
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate?
The IUPAC name of methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate (CID 84681171) is methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate?
The canonical SMILES for methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate is COC(=O)N1CCCCCC1CCNN.
What is the InChIKey of methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate?
The InChIKey is LEILWGQEYFEUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-15-10(14)13-8-4-2-3-5-9(13)6-7-12-11/h9,12H,2-8,11H2,1H3.
What are the key properties of methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate?
methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate has a molecular weight of 215.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate is sourced from PubChem (CID 84681171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).