5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene

C20H36N2 — CID 70378160

IUPAC5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene
SMILESC1=CCCCC(C2CCCCC/C=N\CCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-6-10-14-19(13-9-5-3-1)20-15-11-7-8-12-16-21-17-18-22-20/h1,3,16,19-20,22H,2,4-15,17-18H2/b3-1?,21-16-
InChIKeyXQXGPFVKHVLDAR-MJTNQEMSSA-N
MW304.52 g/mol
LogP5.29
Rot. Bonds1

About 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene

5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene (PubChem CID 70378160) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene.

Molecular Properties

Compound Name5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene
PubChem CID70378160
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene
SMILESC1=CCCCC(C2CCCCC/C=N\CCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-6-10-14-19(13-9-5-3-1)20-15-11-7-8-12-16-21-17-18-22-20/h1,3,16,19-20,22H,2,4-15,17-18H2/b3-1?,21-16-
InChIKeyXQXGPFVKHVLDAR-MJTNQEMSSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene?
The IUPAC name of 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene (CID 70378160) is 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene.
What is the SMILES notation for 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene?
The canonical SMILES for 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene is C1=CCCCC(C2CCCCC/C=N\CCN2)CCCCC1.
What is the InChIKey of 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene?
The InChIKey is XQXGPFVKHVLDAR-MJTNQEMSSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-4-6-10-14-19(13-9-5-3-1)20-15-11-7-8-12-16-21-17-18-22-20/h1,3,16,19-20,22H,2,4-15,17-18H2/b3-1?,21-16-.
What are the key properties of 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene?
5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene has a molecular weight of 304.52 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene is sourced from PubChem (CID 70378160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).