oxan-4-ylmethylazanium chloride

C6H14ClNO — CID 2773211

IUPACoxan-4-ylmethylazanium chloride
SMILES[Cl-].[NH3+]CC1CCOCC1
InChIInChI=1S/C6H13NO.ClH/c7-5-6-1-3-8-4-2-6;/h6H,1-5,7H2;1H
InChIKeyUZQOFHCSTMZYRE-UHFFFAOYSA-N
MW151.64 g/mol
LogP-3.34
Rot. Bonds1

About oxan-4-ylmethylazanium chloride

oxan-4-ylmethylazanium chloride (PubChem CID 2773211) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is oxan-4-ylmethylazanium chloride.

Molecular Properties

Compound Nameoxan-4-ylmethylazanium chloride
PubChem CID2773211
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nameoxan-4-ylmethylazanium chloride
SMILES[Cl-].[NH3+]CC1CCOCC1
InChIInChI=1S/C6H13NO.ClH/c7-5-6-1-3-8-4-2-6;/h6H,1-5,7H2;1H
InChIKeyUZQOFHCSTMZYRE-UHFFFAOYSA-N
XLogP-3.34
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethylazanium chloride?
The IUPAC name of oxan-4-ylmethylazanium chloride (CID 2773211) is oxan-4-ylmethylazanium chloride.
What is the SMILES notation for oxan-4-ylmethylazanium chloride?
The canonical SMILES for oxan-4-ylmethylazanium chloride is [Cl-].[NH3+]CC1CCOCC1.
What is the InChIKey of oxan-4-ylmethylazanium chloride?
The InChIKey is UZQOFHCSTMZYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c7-5-6-1-3-8-4-2-6;/h6H,1-5,7H2;1H.
What are the key properties of oxan-4-ylmethylazanium chloride?
oxan-4-ylmethylazanium chloride has a molecular weight of 151.64 g/mol, XLogP of -3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethylazanium chloride is sourced from PubChem (CID 2773211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).