(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene

C20H32N2 — CID 20559013

IUPAC(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene
SMILESC1=C\CC(C2CCCC2)/N=N/C(C2CCCC2)C/C=C\CC/1
InChIInChI=1S/C20H32N2/c1-2-4-6-16-20(18-13-9-10-14-18)22-21-19(15-5-3-1)17-11-7-8-12-17/h3-6,17-20H,1-2,7-16H2/b5-3-,6-4-,22-21+
InChIKeyDCKRBYKJPRUSCG-AFEREHNSSA-N
MW300.49 g/mol
LogP6.24
Rot. Bonds2

About (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene

(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene (PubChem CID 20559013) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene.

Molecular Properties

Compound Name(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene
PubChem CID20559013
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene
SMILESC1=C\CC(C2CCCC2)/N=N/C(C2CCCC2)C/C=C\CC/1
InChIInChI=1S/C20H32N2/c1-2-4-6-16-20(18-13-9-10-14-18)22-21-19(15-5-3-1)17-11-7-8-12-17/h3-6,17-20H,1-2,7-16H2/b5-3-,6-4-,22-21+
InChIKeyDCKRBYKJPRUSCG-AFEREHNSSA-N
XLogP6.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.24
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

(5E,9E)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22811412
(5E,9E)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22812441
2,3,3a,4,5,6-hexahydro-1H-inden-4-yl(2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)diazene
CID 23436662
(5Z,9Z)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455926
(5Z,9Z)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455928
3,12-Di-(2-pentyl)-1,2-diaza-1,5,9-cyclododecatriene
CID 56611263
(1Z)-3,12-Dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene
CID 56612656
3,12-Di-(4-octyl)-1,2-diaza-1,5,9-cyclododecatriene
CID 56639015
(E,3R,4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
CID 57679906
(E,4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
CID 58988411
9-[1-(Aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine
CID 70477717
(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
CID 91027004

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene?
The IUPAC name of (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene (CID 20559013) is (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene.
What is the SMILES notation for (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene?
The canonical SMILES for (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene is C1=C\CC(C2CCCC2)/N=N/C(C2CCCC2)C/C=C\CC/1.
What is the InChIKey of (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene?
The InChIKey is DCKRBYKJPRUSCG-AFEREHNSSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-4-6-16-20(18-13-9-10-14-18)22-21-19(15-5-3-1)17-11-7-8-12-17/h3-6,17-20H,1-2,7-16H2/b5-3-,6-4-,22-21+.
What are the key properties of (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene?
(5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene has a molecular weight of 300.49 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-3,12-dicyclopentyl-1,2-diazacyclododeca-1,5,9-triene is sourced from PubChem (CID 20559013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).