1,2,3,4-tetrazacyclododec-10-ene

C8H18N4 — CID 67057092

IUPAC1,2,3,4-tetrazacyclododec-10-ene
SMILESC1=CCNNNNCCCCC1
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
InChIKeyVJHLBQSMMIQERZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.22
Rot. Bonds

About 1,2,3,4-tetrazacyclododec-10-ene

1,2,3,4-tetrazacyclododec-10-ene (PubChem CID 67057092) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,2,3,4-tetrazacyclododec-10-ene.

Molecular Properties

Compound Name1,2,3,4-tetrazacyclododec-10-ene
PubChem CID67057092
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1,2,3,4-tetrazacyclododec-10-ene
SMILESC1=CCNNNNCCCCC1
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
InChIKeyVJHLBQSMMIQERZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrazacyclododec-10-ene?
The IUPAC name of 1,2,3,4-tetrazacyclododec-10-ene (CID 67057092) is 1,2,3,4-tetrazacyclododec-10-ene.
What is the SMILES notation for 1,2,3,4-tetrazacyclododec-10-ene?
The canonical SMILES for 1,2,3,4-tetrazacyclododec-10-ene is C1=CCNNNNCCCCC1.
What is the InChIKey of 1,2,3,4-tetrazacyclododec-10-ene?
The InChIKey is VJHLBQSMMIQERZ-UHFFFAOYSA-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.
What are the key properties of 1,2,3,4-tetrazacyclododec-10-ene?
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 1,2,3,4-tetrazacyclododec-10-ene is sourced from PubChem (CID 67057092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).