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

C20H37BrN2 — CID 175582612

IUPAC1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide
SMILESBr.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1
InChIInChI=1S/C20H36N2.BrH/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;1H/b3-1?,21-16-;
InChIKeyDQXLCAYBMPUPSL-ORKHCBSTSA-N
MW385.43 g/mol
LogP5.96
Rot. Bonds1

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

1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide (PubChem CID 175582612) has the molecular formula C20H37BrN2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide.

Molecular Properties

Compound Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide
PubChem CID175582612
Molecular FormulaC20H37BrN2
Molecular Weight385.43 g/mol
Exact Mass384.21
IUPAC Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide
SMILESBr.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1
InChIInChI=1S/C20H36N2.BrH/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;1H/b3-1?,21-16-;
InChIKeyDQXLCAYBMPUPSL-ORKHCBSTSA-N
XLogP5.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide?
The IUPAC name of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide (CID 175582612) is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide.
What is the SMILES notation for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide?
The canonical SMILES for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide is Br.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.
What is the InChIKey of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide?
The InChIKey is DQXLCAYBMPUPSL-ORKHCBSTSA-N. The full InChI is InChI=1S/C20H36N2.BrH/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;1H/b3-1?,21-16-;.
What are the key properties of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide?
1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrobromide has a molecular weight of 385.43 g/mol, XLogP of 5.96, 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;hydrobromide is sourced from PubChem (CID 175582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).