(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene

C13H15N — CID 143906049

IUPAC(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene
SMILESC1=C\C=C\C/C=C\C=C/C/N=C\C=C/1
InChIInChI=1S/C13H15N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,4-12H,3,13H2/b2-1+,6-4-,7-5-,10-8-,11-9-,14-12+
InChIKeyZPIPSOAFLICHTN-FGOHRLTKSA-N
MW185.27 g/mol
LogP3.24
Rot. Bonds

About (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene

(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene (PubChem CID 143906049) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene.

Molecular Properties

Compound Name(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene
PubChem CID143906049
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene
SMILESC1=C\C=C\C/C=C\C=C/C/N=C\C=C/1
InChIInChI=1S/C13H15N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,4-12H,3,13H2/b2-1+,6-4-,7-5-,10-8-,11-9-,14-12+
InChIKeyZPIPSOAFLICHTN-FGOHRLTKSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene?
The IUPAC name of (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene (CID 143906049) is (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene.
What is the SMILES notation for (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene?
The canonical SMILES for (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene is C1=C\C=C\C/C=C\C=C/C/N=C\C=C/1.
What is the InChIKey of (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene?
The InChIKey is ZPIPSOAFLICHTN-FGOHRLTKSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,4-12H,3,13H2/b2-1+,6-4-,7-5-,10-8-,11-9-,14-12+.
What are the key properties of (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene?
(3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene has a molecular weight of 185.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8E,10Z,12Z)-1-azacyclotetradeca-3,5,8,10,12,14-hexaene is sourced from PubChem (CID 143906049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).