cycloheptylazanium chloride

C7H16ClN — CID 18421937

IUPACcycloheptylazanium chloride
SMILES[Cl-].[NH3+]C1CCCCCC1
InChIInChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H
InChIKeyPVXWLXWTEKCYGD-UHFFFAOYSA-N
MW149.66 g/mol
LogP-2.04
Rot. Bonds

About cycloheptylazanium chloride

cycloheptylazanium chloride (PubChem CID 18421937) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is cycloheptylazanium chloride.

Molecular Properties

Compound Namecycloheptylazanium chloride
PubChem CID18421937
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Namecycloheptylazanium chloride
SMILES[Cl-].[NH3+]C1CCCCCC1
InChIInChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H
InChIKeyPVXWLXWTEKCYGD-UHFFFAOYSA-N
XLogP-2.04
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cycloheptylazanium chloride?
The IUPAC name of cycloheptylazanium chloride (CID 18421937) is cycloheptylazanium chloride.
What is the SMILES notation for cycloheptylazanium chloride?
The canonical SMILES for cycloheptylazanium chloride is [Cl-].[NH3+]C1CCCCCC1.
What is the InChIKey of cycloheptylazanium chloride?
The InChIKey is PVXWLXWTEKCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H.
What are the key properties of cycloheptylazanium chloride?
cycloheptylazanium chloride has a molecular weight of 149.66 g/mol, XLogP of -2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylazanium chloride is sourced from PubChem (CID 18421937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).