3,12-diheptyl-1,2-diazacyclododecene

C24H48N2 — CID 70568230

IUPAC3,12-diheptyl-1,2-diazacyclododecene
SMILESCCCCCCCC1CCCCCCCCC(CCCCCCC)/N=N\1
InChIInChI=1S/C24H48N2/c1-3-5-7-11-15-19-23-21-17-13-9-10-14-18-22-24(26-25-23)20-16-12-8-6-4-2/h23-24H,3-22H2,1-2H3/b26-25-
InChIKeyLLSUZGDTXCWWAR-QPLCGJKRSA-N
MW364.66 g/mol
LogP9.03
Rot. Bonds12

About 3,12-diheptyl-1,2-diazacyclododecene

3,12-diheptyl-1,2-diazacyclododecene (PubChem CID 70568230) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 3,12-diheptyl-1,2-diazacyclododecene.

Molecular Properties

Compound Name3,12-diheptyl-1,2-diazacyclododecene
PubChem CID70568230
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name3,12-diheptyl-1,2-diazacyclododecene
SMILESCCCCCCCC1CCCCCCCCC(CCCCCCC)/N=N\1
InChIInChI=1S/C24H48N2/c1-3-5-7-11-15-19-23-21-17-13-9-10-14-18-22-24(26-25-23)20-16-12-8-6-4-2/h23-24H,3-22H2,1-2H3/b26-25-
InChIKeyLLSUZGDTXCWWAR-QPLCGJKRSA-N
XLogP9.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,12-diheptyl-1,2-diazacyclododecene?
The IUPAC name of 3,12-diheptyl-1,2-diazacyclododecene (CID 70568230) is 3,12-diheptyl-1,2-diazacyclododecene.
What is the SMILES notation for 3,12-diheptyl-1,2-diazacyclododecene?
The canonical SMILES for 3,12-diheptyl-1,2-diazacyclododecene is CCCCCCCC1CCCCCCCCC(CCCCCCC)/N=N\1.
What is the InChIKey of 3,12-diheptyl-1,2-diazacyclododecene?
The InChIKey is LLSUZGDTXCWWAR-QPLCGJKRSA-N. The full InChI is InChI=1S/C24H48N2/c1-3-5-7-11-15-19-23-21-17-13-9-10-14-18-22-24(26-25-23)20-16-12-8-6-4-2/h23-24H,3-22H2,1-2H3/b26-25-.
What are the key properties of 3,12-diheptyl-1,2-diazacyclododecene?
3,12-diheptyl-1,2-diazacyclododecene has a molecular weight of 364.66 g/mol, XLogP of 9.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-diheptyl-1,2-diazacyclododecene is sourced from PubChem (CID 70568230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).