2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene

C15H25N — CID 54325297

IUPAC2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
SMILESCC1(C)/C=N\C(C)(C)CC=CCCC=CC1
InChIInChI=1S/C15H25N/c1-14(2)11-9-7-5-6-8-10-12-15(3,4)16-13-14/h7-10,13H,5-6,11-12H2,1-4H3/b9-7?,10-8?,16-13-
InChIKeySUMJAQKXGQGYCM-VOOUNYMWSA-N
MW219.37 g/mol
LogP4.55
Rot. Bonds

About 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene

2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene (PubChem CID 54325297) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene.

Molecular Properties

Compound Name2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
PubChem CID54325297
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
SMILESCC1(C)/C=N\C(C)(C)CC=CCCC=CC1
InChIInChI=1S/C15H25N/c1-14(2)11-9-7-5-6-8-10-12-15(3,4)16-13-14/h7-10,13H,5-6,11-12H2,1-4H3/b9-7?,10-8?,16-13-
InChIKeySUMJAQKXGQGYCM-VOOUNYMWSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene?
The IUPAC name of 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene (CID 54325297) is 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene.
What is the SMILES notation for 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene?
The canonical SMILES for 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene is CC1(C)/C=N\C(C)(C)CC=CCCC=CC1.
What is the InChIKey of 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene?
The InChIKey is SUMJAQKXGQGYCM-VOOUNYMWSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2)11-9-7-5-6-8-10-12-15(3,4)16-13-14/h7-10,13H,5-6,11-12H2,1-4H3/b9-7?,10-8?,16-13-.
What are the key properties of 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene?
2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene has a molecular weight of 219.37 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene is sourced from PubChem (CID 54325297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).