2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine

C11H20N2O2 — CID 123160833

IUPAC2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine
SMILES[H]/N=C(\OC)OC1C=CCCCCC1NC
InChIInChI=1S/C11H20N2O2/c1-13-9-7-5-3-4-6-8-10(9)15-11(12)14-2/h6,8-10,12-13H,3-5,7H2,1-2H3/b8-6?,12-11+
InChIKeyVOJYAVIXQIBKSE-CMVDSXQTSA-N
MW212.29 g/mol
LogP1.67
Rot. Bonds2

About 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine

2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine (PubChem CID 123160833) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine.

Molecular Properties

Compound Name2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine
PubChem CID123160833
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine
SMILES[H]/N=C(\OC)OC1C=CCCCCC1NC
InChIInChI=1S/C11H20N2O2/c1-13-9-7-5-3-4-6-8-10(9)15-11(12)14-2/h6,8-10,12-13H,3-5,7H2,1-2H3/b8-6?,12-11+
InChIKeyVOJYAVIXQIBKSE-CMVDSXQTSA-N
XLogP1.67
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 90182590
methyl [(2E)-5-(methylamino)cyclooct-2-en-1-yl] carbonate
CID 90184254
[(2E)-8-acetamidocyclooct-2-en-1-yl] methyl carbonate
CID 90184392
[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118460782
Methylamino [6-(methylamino)cyclooct-2-en-1-yl] carbonate
CID 123280644
[6-(Methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 123346165
[8-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 123587853
acetaldehyde;ethane;[(2E)-8-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 144632112
methyl [(2E)-6-(methylamino)cyclooct-2-en-1-yl] carbonate
CID 155426559
methyl [(2E)-8-(phosphanylcarbonylamino)cyclooct-2-en-1-yl] carbonate
CID 166982111
[(2E,6R)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 166982119
2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
CID 114227999

Frequently Asked Questions

What is the IUPAC name of 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine?
The IUPAC name of 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine (CID 123160833) is 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine.
What is the SMILES notation for 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine?
The canonical SMILES for 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine is [H]/N=C(\OC)OC1C=CCCCCC1NC.
What is the InChIKey of 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine?
The InChIKey is VOJYAVIXQIBKSE-CMVDSXQTSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-9-7-5-3-4-6-8-10(9)15-11(12)14-2/h6,8-10,12-13H,3-5,7H2,1-2H3/b8-6?,12-11+.
What are the key properties of 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine?
2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine has a molecular weight of 212.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine is sourced from PubChem (CID 123160833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).