cyclododecylazanium

C12H26N+ — CID 7057897

IUPACcyclododecylazanium
SMILES[NH3+]C1CCCCCCCCCCC1
InChIInChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2/p+1
InChIKeyHBGGBCVEFUPUNY-UHFFFAOYSA-O
MW184.35 g/mol
LogP2.90
Rot. Bonds

About cyclododecylazanium

cyclododecylazanium (PubChem CID 7057897) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is cyclododecylazanium.

Molecular Properties

Compound Namecyclododecylazanium
PubChem CID7057897
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Namecyclododecylazanium
SMILES[NH3+]C1CCCCCCCCCCC1
InChIInChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2/p+1
InChIKeyHBGGBCVEFUPUNY-UHFFFAOYSA-O
XLogP2.90
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclododecylazanium?
The IUPAC name of cyclododecylazanium (CID 7057897) is cyclododecylazanium.
What is the SMILES notation for cyclododecylazanium?
The canonical SMILES for cyclododecylazanium is [NH3+]C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecylazanium?
The InChIKey is HBGGBCVEFUPUNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2/p+1.
What are the key properties of cyclododecylazanium?
cyclododecylazanium has a molecular weight of 184.35 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecylazanium is sourced from PubChem (CID 7057897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).