13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane

C16H22N4 — CID 101250182

IUPAC13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
SMILESc1ccc(C23C4N5CCN4CCN2CCN3CC5)cc1
InChIInChI=1S/C16H22N4/c1-2-4-14(5-3-1)16-15-17-6-7-18(15)9-11-20(16)13-12-19(16)10-8-17/h1-5,15H,6-13H2
InChIKeyPOGMXXYWSKGDEX-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.43
Rot. Bonds1

About 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane

13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane (PubChem CID 101250182) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane.

Molecular Properties

Compound Name13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
PubChem CID101250182
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
SMILESc1ccc(C23C4N5CCN4CCN2CCN3CC5)cc1
InChIInChI=1S/C16H22N4/c1-2-4-14(5-3-1)16-15-17-6-7-18(15)9-11-20(16)13-12-19(16)10-8-17/h1-5,15H,6-13H2
InChIKeyPOGMXXYWSKGDEX-UHFFFAOYSA-N
XLogP0.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
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CID 67621621

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The IUPAC name of 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane (CID 101250182) is 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane.
What is the SMILES notation for 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The canonical SMILES for 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane is c1ccc(C23C4N5CCN4CCN2CCN3CC5)cc1.
What is the InChIKey of 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The InChIKey is POGMXXYWSKGDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-4-14(5-3-1)16-15-17-6-7-18(15)9-11-20(16)13-12-19(16)10-8-17/h1-5,15H,6-13H2.
What are the key properties of 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane has a molecular weight of 270.38 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane is sourced from PubChem (CID 101250182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).