cycloheptylazanium

C7H16N+ — CID 7048545

IUPACcycloheptylazanium
SMILES[NH3+]C1CCCCCC1
InChIInChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2/p+1
InChIKeyVXVVUHQULXCUPF-UHFFFAOYSA-O
MW114.21 g/mol
LogP0.95
Rot. Bonds

About cycloheptylazanium

cycloheptylazanium (PubChem CID 7048545) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is cycloheptylazanium.

Molecular Properties

Compound Namecycloheptylazanium
PubChem CID7048545
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namecycloheptylazanium
SMILES[NH3+]C1CCCCCC1
InChIInChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2/p+1
InChIKeyVXVVUHQULXCUPF-UHFFFAOYSA-O
XLogP0.95
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cycloheptylazanium?
The IUPAC name of cycloheptylazanium (CID 7048545) is cycloheptylazanium.
What is the SMILES notation for cycloheptylazanium?
The canonical SMILES for cycloheptylazanium is [NH3+]C1CCCCCC1.
What is the InChIKey of cycloheptylazanium?
The InChIKey is VXVVUHQULXCUPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2/p+1.
What are the key properties of cycloheptylazanium?
cycloheptylazanium has a molecular weight of 114.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylazanium is sourced from PubChem (CID 7048545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).