1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene

C13H27N3 — CID 6395707

IUPAC1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene
SMILESC/C1=N/CCCN(C)CCCNC(C)(C)C1
InChIInChI=1S/C13H27N3/c1-12-11-13(2,3)15-8-6-10-16(4)9-5-7-14-12/h15H,5-11H2,1-4H3/b14-12-
InChIKeyJRGDKXSPECNXSV-OWBHPGMISA-N
MW225.38 g/mol
LogP1.93
Rot. Bonds

About 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene

1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene (PubChem CID 6395707) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene.

Molecular Properties

Compound Name1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene
PubChem CID6395707
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene
SMILESC/C1=N/CCCN(C)CCCNC(C)(C)C1
InChIInChI=1S/C13H27N3/c1-12-11-13(2,3)15-8-6-10-16(4)9-5-7-14-12/h15H,5-11H2,1-4H3/b14-12-
InChIKeyJRGDKXSPECNXSV-OWBHPGMISA-N
XLogP1.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene?
The IUPAC name of 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene (CID 6395707) is 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene.
What is the SMILES notation for 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene?
The canonical SMILES for 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene is C/C1=N/CCCN(C)CCCNC(C)(C)C1.
What is the InChIKey of 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene?
The InChIKey is JRGDKXSPECNXSV-OWBHPGMISA-N. The full InChI is InChI=1S/C13H27N3/c1-12-11-13(2,3)15-8-6-10-16(4)9-5-7-14-12/h15H,5-11H2,1-4H3/b14-12-.
What are the key properties of 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene?
1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene has a molecular weight of 225.38 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6,8-tetramethyl-1,5,9-triazacyclododec-8-ene is sourced from PubChem (CID 6395707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).