4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane

C10H18N2O2 — CID 69429134

IUPAC4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane
SMILESC1CN2CC3OCCOC3CC2CN1
InChIInChI=1S/C10H18N2O2/c1-2-12-7-10-9(13-3-4-14-10)5-8(12)6-11-1/h8-11H,1-7H2
InChIKeyVBJXGFXMWSRQFX-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.55
Rot. Bonds

About 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane

4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane (PubChem CID 69429134) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane.

Molecular Properties

Compound Name4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane
PubChem CID69429134
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane
SMILESC1CN2CC3OCCOC3CC2CN1
InChIInChI=1S/C10H18N2O2/c1-2-12-7-10-9(13-3-4-14-10)5-8(12)6-11-1/h8-11H,1-7H2
InChIKeyVBJXGFXMWSRQFX-UHFFFAOYSA-N
XLogP-0.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane?
The IUPAC name of 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane (CID 69429134) is 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane.
What is the SMILES notation for 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane?
The canonical SMILES for 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane is C1CN2CC3OCCOC3CC2CN1.
What is the InChIKey of 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane?
The InChIKey is VBJXGFXMWSRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-12-7-10-9(13-3-4-14-10)5-8(12)6-11-1/h8-11H,1-7H2.
What are the key properties of 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane?
4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane has a molecular weight of 198.27 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane is sourced from PubChem (CID 69429134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).