4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione

C16H30N4O2 — CID 10519035

IUPAC4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione
SMILESCCCN1CCN(CCC)CCN2CCN(CC1)C(=O)C2=O
InChIInChI=1S/C16H30N4O2/c1-3-5-17-7-8-18(6-4-2)10-12-20-14-13-19(11-9-17)15(21)16(20)22/h3-14H2,1-2H3
InChIKeyBZFMDWZZVIHGNN-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.09
Rot. Bonds4

About 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione

4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione (PubChem CID 10519035) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione.

Molecular Properties

Compound Name4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione
PubChem CID10519035
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione
SMILESCCCN1CCN(CCC)CCN2CCN(CC1)C(=O)C2=O
InChIInChI=1S/C16H30N4O2/c1-3-5-17-7-8-18(6-4-2)10-12-20-14-13-19(11-9-17)15(21)16(20)22/h3-14H2,1-2H3
InChIKeyBZFMDWZZVIHGNN-UHFFFAOYSA-N
XLogP0.09
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione?
The IUPAC name of 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione (CID 10519035) is 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione.
What is the SMILES notation for 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione?
The canonical SMILES for 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione is CCCN1CCN(CCC)CCN2CCN(CC1)C(=O)C2=O.
What is the InChIKey of 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione?
The InChIKey is BZFMDWZZVIHGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-5-17-7-8-18(6-4-2)10-12-20-14-13-19(11-9-17)15(21)16(20)22/h3-14H2,1-2H3.
What are the key properties of 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione?
4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione has a molecular weight of 310.44 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dipropyl-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-11,12-dione is sourced from PubChem (CID 10519035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).