4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene

C13H25N5 — CID 123899702

IUPAC4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene
SMILESCC1(C)CCn2cc(nn2)CNC(C)(C)CCN1
InChIInChI=1S/C13H25N5/c1-12(2)5-7-14-13(3,4)6-8-18-10-11(9-15-12)16-17-18/h10,14-15H,5-9H2,1-4H3
InChIKeyHKJPEPYGCXNUPC-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.31
Rot. Bonds

About 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene

4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene (PubChem CID 123899702) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene.

Molecular Properties

Compound Name4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene
PubChem CID123899702
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene
SMILESCC1(C)CCn2cc(nn2)CNC(C)(C)CCN1
InChIInChI=1S/C13H25N5/c1-12(2)5-7-14-13(3,4)6-8-18-10-11(9-15-12)16-17-18/h10,14-15H,5-9H2,1-4H3
InChIKeyHKJPEPYGCXNUPC-UHFFFAOYSA-N
XLogP1.31
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene?
The IUPAC name of 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene (CID 123899702) is 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene.
What is the SMILES notation for 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene?
The canonical SMILES for 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene is CC1(C)CCn2cc(nn2)CNC(C)(C)CCN1.
What is the InChIKey of 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene?
The InChIKey is HKJPEPYGCXNUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-12(2)5-7-14-13(3,4)6-8-18-10-11(9-15-12)16-17-18/h10,14-15H,5-9H2,1-4H3.
What are the key properties of 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene?
4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene has a molecular weight of 251.38 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethyl-1,5,9,12,13-pentazabicyclo[9.2.1]tetradeca-11(14),12-diene is sourced from PubChem (CID 123899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).