cyclohexylazanium perchlorate

C6H14ClNO4 — CID 139232823

IUPACcyclohexylazanium perchlorate
SMILES[NH3+]C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H13N.ClHO4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h6H,1-5,7H2;(H,2,3,4,5)
InChIKeyNTNUUWKEXWFLHJ-UHFFFAOYSA-N
MW199.63 g/mol
LogP-4.20
Rot. Bonds

About cyclohexylazanium perchlorate

cyclohexylazanium perchlorate (PubChem CID 139232823) has the molecular formula C6H14ClNO4 and a molecular weight of 199.63 g/mol. Its IUPAC name is cyclohexylazanium perchlorate.

Molecular Properties

Compound Namecyclohexylazanium perchlorate
PubChem CID139232823
Molecular FormulaC6H14ClNO4
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Namecyclohexylazanium perchlorate
SMILES[NH3+]C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H13N.ClHO4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h6H,1-5,7H2;(H,2,3,4,5)
InChIKeyNTNUUWKEXWFLHJ-UHFFFAOYSA-N
XLogP-4.20
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium perchlorate?
The IUPAC name of cyclohexylazanium perchlorate (CID 139232823) is cyclohexylazanium perchlorate.
What is the SMILES notation for cyclohexylazanium perchlorate?
The canonical SMILES for cyclohexylazanium perchlorate is [NH3+]C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cyclohexylazanium perchlorate?
The InChIKey is NTNUUWKEXWFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClHO4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h6H,1-5,7H2;(H,2,3,4,5).
What are the key properties of cyclohexylazanium perchlorate?
cyclohexylazanium perchlorate has a molecular weight of 199.63 g/mol, XLogP of -4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium perchlorate is sourced from PubChem (CID 139232823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).