1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene

C20H36N2 — CID 66608808

IUPAC1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene
SMILESC1=C\CCCC(N2CCCCC/C=N\CCC2)CCCCC/1
InChIInChI=1S/C20H36N2/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/b3-1-,21-16-
InChIKeyUFKISRUNYJDSGU-IMQLALEMSA-N
MW304.52 g/mol
LogP5.38
Rot. Bonds1

About 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene

1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene (PubChem CID 66608808) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene.

Molecular Properties

Compound Name1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene
PubChem CID66608808
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene
SMILESC1=C\CCCC(N2CCCCC/C=N\CCC2)CCCCC/1
InChIInChI=1S/C20H36N2/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/b3-1-,21-16-
InChIKeyUFKISRUNYJDSGU-IMQLALEMSA-N
XLogP5.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-nonylidene-2-[2-[(2E)-1-nonylidene-1-azoniacycloundec-2-en-2-yl]ethyl]-1-azoniacycloundec-2-ene
CID 58954471
1-Cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
CID 66608809
N-butyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 67812025
Disodium;1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;carbonate
CID 68754681
N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 69083457
N,N-dibutyl-1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-en-7-amine
CID 69083458
5-Cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine
CID 69284078
3-Cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine
CID 70499445
(6Z,9Z,28Z,31Z)-N-methyl-N-[3-(3H-pyrrol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754037
6-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]imino-N,N-dimethylhexan-3-amine
CID 118396905
2-heptatriaconta-9,28-dien-19-ylimino-N,N-dimethylpropan-1-amine
CID 123183379
N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
CID 123858189

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene?
The IUPAC name of 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene (CID 66608808) is 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene.
What is the SMILES notation for 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene?
The canonical SMILES for 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene is C1=C\CCCC(N2CCCCC/C=N\CCC2)CCCCC/1.
What is the InChIKey of 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene?
The InChIKey is UFKISRUNYJDSGU-IMQLALEMSA-N. The full InChI is InChI=1S/C20H36N2/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/b3-1-,21-16-.
What are the key properties of 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene?
1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene has a molecular weight of 304.52 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene is sourced from PubChem (CID 66608808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).