14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine

C14H21NO2 — CID 134110873

IUPAC14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine
SMILES[H]/N=C1\OC23CCCCC2CC2CCCCC12O3
InChIInChI=1S/C14H21NO2/c15-12-13-7-3-1-5-10(13)9-11-6-2-4-8-14(11,16-12)17-13/h10-11,15H,1-9H2/b15-12-
InChIKeyQGOZSYUMNQWTEW-QINSGFPZSA-N
MW235.33 g/mol
LogP3.23
Rot. Bonds

About 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine

14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine (PubChem CID 134110873) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine.

Molecular Properties

Compound Name14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine
PubChem CID134110873
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine
SMILES[H]/N=C1\OC23CCCCC2CC2CCCCC12O3
InChIInChI=1S/C14H21NO2/c15-12-13-7-3-1-5-10(13)9-11-6-2-4-8-14(11,16-12)17-13/h10-11,15H,1-9H2/b15-12-
InChIKeyQGOZSYUMNQWTEW-QINSGFPZSA-N
XLogP3.23
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine?
The IUPAC name of 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine (CID 134110873) is 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine.
What is the SMILES notation for 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine?
The canonical SMILES for 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine is [H]/N=C1\OC23CCCCC2CC2CCCCC12O3.
What is the InChIKey of 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine?
The InChIKey is QGOZSYUMNQWTEW-QINSGFPZSA-N. The full InChI is InChI=1S/C14H21NO2/c15-12-13-7-3-1-5-10(13)9-11-6-2-4-8-14(11,16-12)17-13/h10-11,15H,1-9H2/b15-12-.
What are the key properties of 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine?
14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine has a molecular weight of 235.33 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dioxatetracyclo[11.2.1.01,6.08,13]hexadecan-15-imine is sourced from PubChem (CID 134110873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).