1-azacyclododeca-10,12-diene

C11H19N — CID 70542619

IUPAC1-azacyclododeca-10,12-diene
SMILESC1=CCCCCCCCC/N=C\1
InChIInChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h6,8,10H,1-5,7,9,11H2/b8-6?,12-10-
InChIKeyQOCBNTYLYYSREA-OJMNGIDJSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds

About 1-azacyclododeca-10,12-diene

1-azacyclododeca-10,12-diene (PubChem CID 70542619) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-azacyclododeca-10,12-diene.

Molecular Properties

Compound Name1-azacyclododeca-10,12-diene
PubChem CID70542619
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-azacyclododeca-10,12-diene
SMILESC1=CCCCCCCCC/N=C\1
InChIInChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h6,8,10H,1-5,7,9,11H2/b8-6?,12-10-
InChIKeyQOCBNTYLYYSREA-OJMNGIDJSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclododeca-10,12-diene?
The IUPAC name of 1-azacyclododeca-10,12-diene (CID 70542619) is 1-azacyclododeca-10,12-diene.
What is the SMILES notation for 1-azacyclododeca-10,12-diene?
The canonical SMILES for 1-azacyclododeca-10,12-diene is C1=CCCCCCCCC/N=C\1.
What is the InChIKey of 1-azacyclododeca-10,12-diene?
The InChIKey is QOCBNTYLYYSREA-OJMNGIDJSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h6,8,10H,1-5,7,9,11H2/b8-6?,12-10-.
What are the key properties of 1-azacyclododeca-10,12-diene?
1-azacyclododeca-10,12-diene has a molecular weight of 165.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclododeca-10,12-diene is sourced from PubChem (CID 70542619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).