3,12-dipentyl-1,2-diazacyclododecene

C20H40N2 — CID 20559018

IUPAC3,12-dipentyl-1,2-diazacyclododecene
SMILESCCCCCC1CCCCCCCCC(CCCCC)/N=N\1
InChIInChI=1S/C20H40N2/c1-3-5-11-15-19-17-13-9-7-8-10-14-18-20(22-21-19)16-12-6-4-2/h19-20H,3-18H2,1-2H3/b22-21-
InChIKeyDQXFFIBULZRFRG-DQRAZIAOSA-N
MW308.55 g/mol
LogP7.47
Rot. Bonds8

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

3,12-dipentyl-1,2-diazacyclododecene (PubChem CID 20559018) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 3,12-dipentyl-1,2-diazacyclododecene.

Molecular Properties

Compound Name3,12-dipentyl-1,2-diazacyclododecene
PubChem CID20559018
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name3,12-dipentyl-1,2-diazacyclododecene
SMILESCCCCCC1CCCCCCCCC(CCCCC)/N=N\1
InChIInChI=1S/C20H40N2/c1-3-5-11-15-19-17-13-9-7-8-10-14-18-20(22-21-19)16-12-6-4-2/h19-20H,3-18H2,1-2H3/b22-21-
InChIKeyDQXFFIBULZRFRG-DQRAZIAOSA-N
XLogP7.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 57.47
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-dipentyl-1,2-diazacyclododecene?
The IUPAC name of 3,12-dipentyl-1,2-diazacyclododecene (CID 20559018) is 3,12-dipentyl-1,2-diazacyclododecene.
What is the SMILES notation for 3,12-dipentyl-1,2-diazacyclododecene?
The canonical SMILES for 3,12-dipentyl-1,2-diazacyclododecene is CCCCCC1CCCCCCCCC(CCCCC)/N=N\1.
What is the InChIKey of 3,12-dipentyl-1,2-diazacyclododecene?
The InChIKey is DQXFFIBULZRFRG-DQRAZIAOSA-N. The full InChI is InChI=1S/C20H40N2/c1-3-5-11-15-19-17-13-9-7-8-10-14-18-20(22-21-19)16-12-6-4-2/h19-20H,3-18H2,1-2H3/b22-21-.
What are the key properties of 3,12-dipentyl-1,2-diazacyclododecene?
3,12-dipentyl-1,2-diazacyclododecene has a molecular weight of 308.55 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-dipentyl-1,2-diazacyclododecene is sourced from PubChem (CID 20559018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).