(10Z)-1,2,3,4-tetrazacyclododec-10-ene

C8H18N4 — CID 87252295

IUPAC(10Z)-1,2,3,4-tetrazacyclododec-10-ene
SMILESC1=C\CNNNNCCCCC/1
InChIInChI=1S/C8H18N4/c1-2-4-6-8-10-12-11-9-7-5-3-1/h3,5,9-12H,1-2,4,6-8H2/b5-3-
InChIKeyVJHLBQSMMIQERZ-HYXAFXHYSA-N
MW170.26 g/mol
LogP0.22
Rot. Bonds

About (10Z)-1,2,3,4-tetrazacyclododec-10-ene

(10Z)-1,2,3,4-tetrazacyclododec-10-ene (PubChem CID 87252295) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is (10Z)-1,2,3,4-tetrazacyclododec-10-ene.

Molecular Properties

Compound Name(10Z)-1,2,3,4-tetrazacyclododec-10-ene
PubChem CID87252295
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name(10Z)-1,2,3,4-tetrazacyclododec-10-ene
SMILESC1=C\CNNNNCCCCC/1
InChIInChI=1S/C8H18N4/c1-2-4-6-8-10-12-11-9-7-5-3-1/h3,5,9-12H,1-2,4,6-8H2/b5-3-
InChIKeyVJHLBQSMMIQERZ-HYXAFXHYSA-N
XLogP0.22
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dihydrophenylhydrazine
CID 13491234
8-Diazaundecene
CID 129807183
Diazacyclotetradec-9-ene
CID 129702081
N,N'-bis(octa-2,7-dien-1-yl)hydrazine
CID 129740184
N-2,7-octadienylhydrazine
CID 129811843
(10Z)-1,2,3,4-tetrazacyclotetradec-10-ene
CID 18635675
Cyclohex-2-en-1-ylhydrazine;hydrochloride
CID 22394212
(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine
CID 23086029
1-Heptadec-8-enyl-2-methylhydrazine
CID 57131084
1,2,3,4-Tetrazacyclododec-10-ene
CID 67057092
1,2,3,4-Tetrazacyclotetradec-11-ene
CID 67780336
1,2,3-Triazacyclododec-10-ene
CID 67810602

Frequently Asked Questions

What is the IUPAC name of (10Z)-1,2,3,4-tetrazacyclododec-10-ene?
The IUPAC name of (10Z)-1,2,3,4-tetrazacyclododec-10-ene (CID 87252295) is (10Z)-1,2,3,4-tetrazacyclododec-10-ene.
What is the SMILES notation for (10Z)-1,2,3,4-tetrazacyclododec-10-ene?
The canonical SMILES for (10Z)-1,2,3,4-tetrazacyclododec-10-ene is C1=C\CNNNNCCCCC/1.
What is the InChIKey of (10Z)-1,2,3,4-tetrazacyclododec-10-ene?
The InChIKey is VJHLBQSMMIQERZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-4-6-8-10-12-11-9-7-5-3-1/h3,5,9-12H,1-2,4,6-8H2/b5-3-.
What are the key properties of (10Z)-1,2,3,4-tetrazacyclododec-10-ene?
(10Z)-1,2,3,4-tetrazacyclododec-10-ene has a molecular weight of 170.26 g/mol, XLogP of 0.22, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-1,2,3,4-tetrazacyclododec-10-ene is sourced from PubChem (CID 87252295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).