(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene

C20H36N2 — CID 173264965

IUPAC(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
SMILESC1=CCCCC(N2CCC/C=C\CCCNC2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-8-12-16-20(15-11-7-3-1)22-18-14-10-6-5-9-13-17-21-19-22/h1,3,5-6,20-21H,2,4,7-19H2/b3-1?,6-5-
InChIKeyVAHXJQLNRSQLKP-MMTMFTEJSA-N
MW304.52 g/mol
LogP5.02
Rot. Bonds1

About (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene

(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene (PubChem CID 173264965) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene.

Molecular Properties

Compound Name(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
PubChem CID173264965
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
SMILESC1=CCCCC(N2CCC/C=C\CCCNC2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-4-8-12-16-20(15-11-7-3-1)22-18-14-10-6-5-9-13-17-21-19-22/h1,3,5-6,20-21H,2,4,7-19H2/b3-1?,6-5-
InChIKeyVAHXJQLNRSQLKP-MMTMFTEJSA-N
XLogP5.02
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 ≤ 55.02
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

1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
CID 102449509
1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine
CID 174119068
1-cyclohexyl-1,3-diazetidine
CID 20659802
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine
CID 70524739
1-cyclohexylazocane
CID 23151203
(9Z)-1-azacyclopentadec-9-ene
CID 10822312
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cycloheptylpiperazine;methane
CID 143122535
1-cyclohexylpiperidine;methane
CID 143122486

Frequently Asked Questions

What is the IUPAC name of (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene?
The IUPAC name of (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene (CID 173264965) is (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene.
What is the SMILES notation for (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene?
The canonical SMILES for (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene is C1=CCCCC(N2CCC/C=C\CCCNC2)CCCCC1.
What is the InChIKey of (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene?
The InChIKey is VAHXJQLNRSQLKP-MMTMFTEJSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-4-8-12-16-20(15-11-7-3-1)22-18-14-10-6-5-9-13-17-21-19-22/h1,3,5-6,20-21H,2,4,7-19H2/b3-1?,6-5-.
What are the key properties of (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene?
(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene has a molecular weight of 304.52 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene is sourced from PubChem (CID 173264965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).