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

C20H36N2 — CID 66608809

IUPAC1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22/h1,3,16,20H,2,4-15,17-19H2/b3-1?,21-16-
InChIKeyUFKISRUNYJDSGU-MJTNQEMSSA-N
MW304.52 g/mol
LogP5.38
Rot. Bonds1

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

1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene (PubChem CID 66608809) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene.

Molecular Properties

Compound Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
PubChem CID66608809
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22/h1,3,16,20H,2,4-15,17-19H2/b3-1?,21-16-
InChIKeyUFKISRUNYJDSGU-MJTNQEMSSA-N
XLogP5.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
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 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene?
The IUPAC name of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene (CID 66608809) is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene.
What is the SMILES notation for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene?
The canonical SMILES for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene is C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.
What is the InChIKey of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene?
The InChIKey is UFKISRUNYJDSGU-MJTNQEMSSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22/h1,3,16,20H,2,4-15,17-19H2/b3-1?,21-16-.
What are the key properties of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene?
1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene has a molecular weight of 304.52 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene is sourced from PubChem (CID 66608809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).