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

C20H37ClN2 — CID 175404900

IUPAC1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.Cl
InChIInChI=1S/C20H36N2.ClH/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-;
InChIKeyIOWDMKZPAQZLED-ORKHCBSTSA-N
MW340.98 g/mol
LogP5.80
Rot. Bonds1

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

1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride (PubChem CID 175404900) has the molecular formula C20H37ClN2 and a molecular weight of 340.98 g/mol. Its IUPAC name is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride.

Molecular Properties

Compound Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride
PubChem CID175404900
Molecular FormulaC20H37ClN2
Molecular Weight340.98 g/mol
Exact Mass340.26
IUPAC Name1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.Cl
InChIInChI=1S/C20H36N2.ClH/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-;
InChIKeyIOWDMKZPAQZLED-ORKHCBSTSA-N
XLogP5.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.98
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride?
The IUPAC name of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride (CID 175404900) is 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride.
What is the SMILES notation for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride?
The canonical SMILES for 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride is C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.Cl.
What is the InChIKey of 1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride?
The InChIKey is IOWDMKZPAQZLED-ORKHCBSTSA-N. The full InChI is InChI=1S/C20H36N2.ClH/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;hydrochloride?
1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;hydrochloride has a molecular weight of 340.98 g/mol, XLogP of 5.80, 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;hydrochloride is sourced from PubChem (CID 175404900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).