4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane

C17H37N5 — CID 59108275

IUPAC4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
SMILESCN1CCN(C)CCN2CCCCN(CC1)CCN(C)CC2
InChIInChI=1S/C17H37N5/c1-18-8-9-19(2)11-15-22-7-5-4-6-21(14-10-18)16-12-20(3)13-17-22/h4-17H2,1-3H3
InChIKeyALEZMEZMYSGFAN-UHFFFAOYSA-N
MW311.52 g/mol
LogP0.19
Rot. Bonds

About 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane

4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane (PubChem CID 59108275) has the molecular formula C17H37N5 and a molecular weight of 311.52 g/mol. Its IUPAC name is 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane.

Molecular Properties

Compound Name4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
PubChem CID59108275
Molecular FormulaC17H37N5
Molecular Weight311.52 g/mol
Exact Mass311.30
IUPAC Name4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
SMILESCN1CCN(C)CCN2CCCCN(CC1)CCN(C)CC2
InChIInChI=1S/C17H37N5/c1-18-8-9-19(2)11-15-22-7-5-4-6-21(14-10-18)16-12-20(3)13-17-22/h4-17H2,1-3H3
InChIKeyALEZMEZMYSGFAN-UHFFFAOYSA-N
XLogP0.19
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane?
The IUPAC name of 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane (CID 59108275) is 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane.
What is the SMILES notation for 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane?
The canonical SMILES for 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane is CN1CCN(C)CCN2CCCCN(CC1)CCN(C)CC2.
What is the InChIKey of 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane?
The InChIKey is ALEZMEZMYSGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N5/c1-18-8-9-19(2)11-15-22-7-5-4-6-21(14-10-18)16-12-20(3)13-17-22/h4-17H2,1-3H3.
What are the key properties of 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane?
4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane has a molecular weight of 311.52 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane is sourced from PubChem (CID 59108275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).