3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene

C20H32N2 — CID 67512196

IUPAC3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene
SMILESC1=CCCCCCCCC(C2=NN=CCCCCCCC2)=C1
InChIInChI=1S/C20H32N2/c1-2-4-8-12-16-19(15-11-7-3-1)20-17-13-9-5-6-10-14-18-21-22-20/h7,11,15,18H,1-6,8-10,12-14,16-17H2
InChIKeyOZHBJRHSVDPOQB-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.38
Rot. Bonds1

About 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene

3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene (PubChem CID 67512196) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene.

Molecular Properties

Compound Name3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene
PubChem CID67512196
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene
SMILESC1=CCCCCCCCC(C2=NN=CCCCCCCC2)=C1
InChIInChI=1S/C20H32N2/c1-2-4-8-12-16-19(15-11-7-3-1)20-17-13-9-5-6-10-14-18-21-22-20/h7,11,15,18H,1-6,8-10,12-14,16-17H2
InChIKeyOZHBJRHSVDPOQB-UHFFFAOYSA-N
XLogP6.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene?
The IUPAC name of 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene (CID 67512196) is 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene.
What is the SMILES notation for 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene?
The canonical SMILES for 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene is C1=CCCCCCCCC(C2=NN=CCCCCCCC2)=C1.
What is the InChIKey of 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene?
The InChIKey is OZHBJRHSVDPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-4-8-12-16-19(15-11-7-3-1)20-17-13-9-5-6-10-14-18-21-22-20/h7,11,15,18H,1-6,8-10,12-14,16-17H2.
What are the key properties of 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene?
3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene has a molecular weight of 300.49 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene is sourced from PubChem (CID 67512196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).