methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate

C11H20N4O3 — CID 66189817

IUPACmethyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
SMILESCCC1CC(NCCN=[N+]=[N-])(C(=O)OC)CCO1
InChIInChI=1S/C11H20N4O3/c1-3-9-8-11(4-7-18-9,10(16)17-2)13-5-6-14-15-12/h9,13H,3-8H2,1-2H3
InChIKeyFEYNBIGEDGAQCM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.39
Rot. Bonds6

About methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate

methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate (PubChem CID 66189817) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
PubChem CID66189817
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Namemethyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
SMILESCCC1CC(NCCN=[N+]=[N-])(C(=O)OC)CCO1
InChIInChI=1S/C11H20N4O3/c1-3-9-8-11(4-7-18-9,10(16)17-2)13-5-6-14-15-12/h9,13H,3-8H2,1-2H3
InChIKeyFEYNBIGEDGAQCM-UHFFFAOYSA-N
XLogP1.39
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidopropylamino)-2-ethyloxane-4-carboxylic acid
CID 66191072
methyl 1-(2-azidoethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 66189232
methyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66191210
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414
ethyl 1-(2-azidoethylamino)-3-ethylcyclopentane-1-carboxylate
CID 66190834
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
methyl 3-(2-azidoethylamino)-1-methylpyrrolidine-3-carboxylate
CID 66189618
ethyl 1-(2-azidoethylamino)-4-ethylcyclohexane-1-carboxylate
CID 66191221
methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 66191601
4-(2-azidoethylamino)oxane-4-carboxamide
CID 66190843
ethyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66190432

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate?
The IUPAC name of methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate (CID 66189817) is methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate?
The canonical SMILES for methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate is CCC1CC(NCCN=[N+]=[N-])(C(=O)OC)CCO1.
What is the InChIKey of methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate?
The InChIKey is FEYNBIGEDGAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-9-8-11(4-7-18-9,10(16)17-2)13-5-6-14-15-12/h9,13H,3-8H2,1-2H3.
What are the key properties of methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate?
methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate is sourced from PubChem (CID 66189817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).