(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene

C14H23N — CID 22811541

IUPAC(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
SMILESCC1/C=N/C(C)(C)C/C=C/CC/C=C/C1
InChIInChI=1S/C14H23N/c1-13-10-8-6-4-5-7-9-11-14(2,3)15-12-13/h6-9,12-13H,4-5,10-11H2,1-3H3/b8-6+,9-7+,15-12+
InChIKeyBKZDKNQEVKGXSL-VDABPQPGSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds

About (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene

(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene (PubChem CID 22811541) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene.

Molecular Properties

Compound Name(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
PubChem CID22811541
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
SMILESCC1/C=N/C(C)(C)C/C=C/CC/C=C/C1
InChIInChI=1S/C14H23N/c1-13-10-8-6-4-5-7-9-11-14(2,3)15-12-13/h6-9,12-13H,4-5,10-11H2,1-3H3/b8-6+,9-7+,15-12+
InChIKeyBKZDKNQEVKGXSL-VDABPQPGSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
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 (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene?
The IUPAC name of (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene (CID 22811541) is (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene.
What is the SMILES notation for (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene?
The canonical SMILES for (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene is CC1/C=N/C(C)(C)C/C=C/CC/C=C/C1.
What is the InChIKey of (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene?
The InChIKey is BKZDKNQEVKGXSL-VDABPQPGSA-N. The full InChI is InChI=1S/C14H23N/c1-13-10-8-6-4-5-7-9-11-14(2,3)15-12-13/h6-9,12-13H,4-5,10-11H2,1-3H3/b8-6+,9-7+,15-12+.
What are the key properties of (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene?
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene has a molecular weight of 205.34 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene is sourced from PubChem (CID 22811541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).