3-cyclooctyl-N-ethylazirin-2-imine

C12H20N2 — CID 155057050

IUPAC3-cyclooctyl-N-ethylazirin-2-imine
SMILESCC/N=c1\nc1C1CCCCCCC1
InChIInChI=1S/C12H20N2/c1-2-13-12-11(14-12)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3/b13-12-
InChIKeyBVOFABOXLRLAEU-SEYXRHQNSA-N
MW192.31 g/mol
LogP2.71
Rot. Bonds2

About 3-cyclooctyl-N-ethylazirin-2-imine

3-cyclooctyl-N-ethylazirin-2-imine (PubChem CID 155057050) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-cyclooctyl-N-ethylazirin-2-imine.

Molecular Properties

Compound Name3-cyclooctyl-N-ethylazirin-2-imine
PubChem CID155057050
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-cyclooctyl-N-ethylazirin-2-imine
SMILESCC/N=c1\nc1C1CCCCCCC1
InChIInChI=1S/C12H20N2/c1-2-13-12-11(14-12)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3/b13-12-
InChIKeyBVOFABOXLRLAEU-SEYXRHQNSA-N
XLogP2.71
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-N-ethylazirin-2-imine?
The IUPAC name of 3-cyclooctyl-N-ethylazirin-2-imine (CID 155057050) is 3-cyclooctyl-N-ethylazirin-2-imine.
What is the SMILES notation for 3-cyclooctyl-N-ethylazirin-2-imine?
The canonical SMILES for 3-cyclooctyl-N-ethylazirin-2-imine is CC/N=c1\nc1C1CCCCCCC1.
What is the InChIKey of 3-cyclooctyl-N-ethylazirin-2-imine?
The InChIKey is BVOFABOXLRLAEU-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-13-12-11(14-12)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3/b13-12-.
What are the key properties of 3-cyclooctyl-N-ethylazirin-2-imine?
3-cyclooctyl-N-ethylazirin-2-imine has a molecular weight of 192.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-N-ethylazirin-2-imine is sourced from PubChem (CID 155057050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).