methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate

C11H20N2O3 — CID 123280644

IUPACmethylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate
SMILESCNOC(=O)OC1C=CCCC(NC)CC1
InChIInChI=1S/C11H20N2O3/c1-12-9-5-3-4-6-10(8-7-9)15-11(14)16-13-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyWUBAYXILSFHPDF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.36
Rot. Bonds3

About methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate

methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate (PubChem CID 123280644) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate.

Molecular Properties

Compound Namemethylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate
PubChem CID123280644
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate
SMILESCNOC(=O)OC1C=CCCC(NC)CC1
InChIInChI=1S/C11H20N2O3/c1-12-9-5-3-4-6-10(8-7-9)15-11(14)16-13-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyWUBAYXILSFHPDF-UHFFFAOYSA-N
XLogP1.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-6-aminocyclooct-2-en-1-yl] N-ethylcarbamate
CID 90182586
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] carbamate
CID 90182589
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 90182590
[(2E)-6-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182599
[(2E,5S)-5-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182861
[(2E)-5-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182937
[(2E)-6-aminocyclooct-2-en-1-yl] N,N-dimethylcarbamate
CID 90182974
[(2E)-6-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 90183042
methyl [(2E)-5-(methylamino)cyclooct-2-en-1-yl] carbonate
CID 90184254
[(2E)-6-aminocyclooct-2-en-1-yl] tert-butyl carbonate
CID 118458930
tert-butyl [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] carbonate
CID 118458937
[(2E)-6-aminocyclooct-2-en-1-yl] N-methylcarbamate
CID 118460720

Frequently Asked Questions

What is the IUPAC name of methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate?
The IUPAC name of methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate (CID 123280644) is methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate.
What is the SMILES notation for methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate?
The canonical SMILES for methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate is CNOC(=O)OC1C=CCCC(NC)CC1.
What is the InChIKey of methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate?
The InChIKey is WUBAYXILSFHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-9-5-3-4-6-10(8-7-9)15-11(14)16-13-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3.
What are the key properties of methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate?
methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate has a molecular weight of 228.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate is sourced from PubChem (CID 123280644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).