1-cycloundecyl-1,2-diazacycloundecane

C20H40N2 — CID 57346892

IUPAC1-cycloundecyl-1,2-diazacycloundecane
SMILESC1CCCCCC(N2CCCCCCCCCN2)CCCC1
InChIInChI=1S/C20H40N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h20-21H,1-19H2
InChIKeyVZAWCLCJGSBATP-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.82
Rot. Bonds1

About 1-cycloundecyl-1,2-diazacycloundecane

1-cycloundecyl-1,2-diazacycloundecane (PubChem CID 57346892) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-cycloundecyl-1,2-diazacycloundecane.

Molecular Properties

Compound Name1-cycloundecyl-1,2-diazacycloundecane
PubChem CID57346892
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-cycloundecyl-1,2-diazacycloundecane
SMILESC1CCCCCC(N2CCCCCCCCCN2)CCCC1
InChIInChI=1S/C20H40N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h20-21H,1-19H2
InChIKeyVZAWCLCJGSBATP-UHFFFAOYSA-N
XLogP5.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloundecyl-1,2-diazacycloundecane?
The IUPAC name of 1-cycloundecyl-1,2-diazacycloundecane (CID 57346892) is 1-cycloundecyl-1,2-diazacycloundecane.
What is the SMILES notation for 1-cycloundecyl-1,2-diazacycloundecane?
The canonical SMILES for 1-cycloundecyl-1,2-diazacycloundecane is C1CCCCCC(N2CCCCCCCCCN2)CCCC1.
What is the InChIKey of 1-cycloundecyl-1,2-diazacycloundecane?
The InChIKey is VZAWCLCJGSBATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h20-21H,1-19H2.
What are the key properties of 1-cycloundecyl-1,2-diazacycloundecane?
1-cycloundecyl-1,2-diazacycloundecane has a molecular weight of 308.55 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundecyl-1,2-diazacycloundecane is sourced from PubChem (CID 57346892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).