1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene

C20H36N2 — CID 66986823

IUPAC1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene
SMILESC1=CCCCC(N2CCCC=CCCCCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,3-4,7,20-21H,2,5-6,8-19H2
InChIKeyMFCIVZYYKAROLG-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.37
Rot. Bonds1

About 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene

1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene (PubChem CID 66986823) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene.

Molecular Properties

Compound Name1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene
PubChem CID66986823
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene
SMILESC1=CCCCC(N2CCCC=CCCCCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,3-4,7,20-21H,2,5-6,8-19H2
InChIKeyMFCIVZYYKAROLG-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diazabicycloundec-7-ene
CID 129743274
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1-Octadec-9-enyl-1-propylhydrazine
CID 53802972
6-N-octadec-9-enylhexane-1,3,6-triamine
CID 53881719
1-N-octadec-9-enylbutane-1,3-diamine
CID 53946162
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CID 54167850
1,1-Diethyl-2-octadec-9-enylhydrazine
CID 54526952
1,2-Diazabicyclo[8.8.8]hexacos-10-ene
CID 66584611
1-Cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene
CID 67649104
N-[(Z)-octadec-9-enyl]azepan-1-amine
CID 67683890
N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine
CID 67684211

Frequently Asked Questions

What is the IUPAC name of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene?
The IUPAC name of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene (CID 66986823) is 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene.
What is the SMILES notation for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene?
The canonical SMILES for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene is C1=CCCCC(N2CCCC=CCCCCN2)CCCCC1.
What is the InChIKey of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene?
The InChIKey is MFCIVZYYKAROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,3-4,7,20-21H,2,5-6,8-19H2.
What are the key properties of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene?
1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene has a molecular weight of 304.52 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene is sourced from PubChem (CID 66986823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).