1-azacyclotetradeca-4,11-diene

C13H23N — CID 76548793

IUPAC1-azacyclotetradeca-4,11-diene
SMILESC1=CCCNCCC=CCCCCC1
InChIInChI=1S/C13H23N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h6-9,14H,1-5,10-13H2
InChIKeyFJVRAHVSWMIELW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.43
Rot. Bonds

About 1-azacyclotetradeca-4,11-diene

1-azacyclotetradeca-4,11-diene (PubChem CID 76548793) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-azacyclotetradeca-4,11-diene.

Molecular Properties

Compound Name1-azacyclotetradeca-4,11-diene
PubChem CID76548793
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-azacyclotetradeca-4,11-diene
SMILESC1=CCCNCCC=CCCCCC1
InChIInChI=1S/C13H23N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h6-9,14H,1-5,10-13H2
InChIKeyFJVRAHVSWMIELW-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-azacyclotetradeca-4,11-diene?
The IUPAC name of 1-azacyclotetradeca-4,11-diene (CID 76548793) is 1-azacyclotetradeca-4,11-diene.
What is the SMILES notation for 1-azacyclotetradeca-4,11-diene?
The canonical SMILES for 1-azacyclotetradeca-4,11-diene is C1=CCCNCCC=CCCCCC1.
What is the InChIKey of 1-azacyclotetradeca-4,11-diene?
The InChIKey is FJVRAHVSWMIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h6-9,14H,1-5,10-13H2.
What are the key properties of 1-azacyclotetradeca-4,11-diene?
1-azacyclotetradeca-4,11-diene has a molecular weight of 193.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclotetradeca-4,11-diene is sourced from PubChem (CID 76548793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).