1,2,3,4-tetrazacyclotetradec-11-ene

C10H22N4 — CID 67780336

IUPAC1,2,3,4-tetrazacyclotetradec-11-ene
SMILESC1=CCCNNNNCCCCCC1
InChIInChI=1S/C10H22N4/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h3,5,11-14H,1-2,4,6-10H2
InChIKeySZZDNPBPCQEWCL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds

About 1,2,3,4-tetrazacyclotetradec-11-ene

1,2,3,4-tetrazacyclotetradec-11-ene (PubChem CID 67780336) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,2,3,4-tetrazacyclotetradec-11-ene.

Molecular Properties

Compound Name1,2,3,4-tetrazacyclotetradec-11-ene
PubChem CID67780336
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1,2,3,4-tetrazacyclotetradec-11-ene
SMILESC1=CCCNNNNCCCCCC1
InChIInChI=1S/C10H22N4/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h3,5,11-14H,1-2,4,6-10H2
InChIKeySZZDNPBPCQEWCL-UHFFFAOYSA-N
XLogP1.00
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
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-tetrazacyclotetradec-11-ene?
The IUPAC name of 1,2,3,4-tetrazacyclotetradec-11-ene (CID 67780336) is 1,2,3,4-tetrazacyclotetradec-11-ene.
What is the SMILES notation for 1,2,3,4-tetrazacyclotetradec-11-ene?
The canonical SMILES for 1,2,3,4-tetrazacyclotetradec-11-ene is C1=CCCNNNNCCCCCC1.
What is the InChIKey of 1,2,3,4-tetrazacyclotetradec-11-ene?
The InChIKey is SZZDNPBPCQEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h3,5,11-14H,1-2,4,6-10H2.
What are the key properties of 1,2,3,4-tetrazacyclotetradec-11-ene?
1,2,3,4-tetrazacyclotetradec-11-ene has a molecular weight of 198.31 g/mol, XLogP of 1.00, 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-tetrazacyclotetradec-11-ene is sourced from PubChem (CID 67780336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).