2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene

C21H37N — CID 67366621

IUPAC2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene
SMILESC1=C(C2=N/CCCCCCCCC/2)\CCCCCCCCC/1
InChIInChI=1S/C21H37N/c1-2-5-9-13-17-20(16-12-8-4-1)21-18-14-10-6-3-7-11-15-19-22-21/h16H,1-15,17-19H2/b20-16+,22-21+
InChIKeyOYYSZDFWDQZBMS-WDPZQTTISA-N
MW303.53 g/mol
LogP7.01
Rot. Bonds1

About 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene

2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene (PubChem CID 67366621) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene.

Molecular Properties

Compound Name2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene
PubChem CID67366621
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene
SMILESC1=C(C2=N/CCCCCCCCC/2)\CCCCCCCCC/1
InChIInChI=1S/C21H37N/c1-2-5-9-13-17-20(16-12-8-4-1)21-18-14-10-6-3-7-11-15-19-22-21/h16H,1-15,17-19H2/b20-16+,22-21+
InChIKeyOYYSZDFWDQZBMS-WDPZQTTISA-N
XLogP7.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene?
The IUPAC name of 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene (CID 67366621) is 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene.
What is the SMILES notation for 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene?
The canonical SMILES for 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene is C1=C(C2=N/CCCCCCCCC/2)\CCCCCCCCC/1.
What is the InChIKey of 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene?
The InChIKey is OYYSZDFWDQZBMS-WDPZQTTISA-N. The full InChI is InChI=1S/C21H37N/c1-2-5-9-13-17-20(16-12-8-4-1)21-18-14-10-6-3-7-11-15-19-22-21/h16H,1-15,17-19H2/b20-16+,22-21+.
What are the key properties of 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene?
2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene has a molecular weight of 303.53 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-cycloundecen-1-yl]-1-azacycloundecene is sourced from PubChem (CID 67366621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).