1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene

C20H37N2+ — CID 77274238

IUPAC1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene
SMILESC1=C(/[N+]2=C/CNCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C20H37N2/c1-2-4-7-11-15-20(14-10-6-3-1)22-18-13-9-5-8-12-16-21-17-19-22/h14,19,21H,1-13,15-18H2/q+1/b20-14?,22-19+
InChIKeyNVSBIMGHBWXLCZ-HAPBUICKSA-N
MW305.53 g/mol
LogP5.03
Rot. Bonds1

About 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene

1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene (PubChem CID 77274238) has the molecular formula C20H37N2+ and a molecular weight of 305.53 g/mol. Its IUPAC name is 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene.

Molecular Properties

Compound Name1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene
PubChem CID77274238
Molecular FormulaC20H37N2+
Molecular Weight305.53 g/mol
Exact Mass305.30
IUPAC Name1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene
SMILESC1=C(/[N+]2=C/CNCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C20H37N2/c1-2-4-7-11-15-20(14-10-6-3-1)22-18-13-9-5-8-12-16-21-17-19-22/h14,19,21H,1-13,15-18H2/q+1/b20-14?,22-19+
InChIKeyNVSBIMGHBWXLCZ-HAPBUICKSA-N
XLogP5.03
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene?
The IUPAC name of 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene (CID 77274238) is 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene.
What is the SMILES notation for 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene?
The canonical SMILES for 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene is C1=C(/[N+]2=C/CNCCCCCCC2)CCCCCCCCC1.
What is the InChIKey of 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene?
The InChIKey is NVSBIMGHBWXLCZ-HAPBUICKSA-N. The full InChI is InChI=1S/C20H37N2/c1-2-4-7-11-15-20(14-10-6-3-1)22-18-13-9-5-8-12-16-21-17-19-22/h14,19,21H,1-13,15-18H2/q+1/b20-14?,22-19+.
What are the key properties of 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene?
1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene has a molecular weight of 305.53 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloundecen-1-yl)-4-aza-1-azoniacycloundecene is sourced from PubChem (CID 77274238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).