2-(oxan-4-yl)ethylazanium chloride

C7H16ClNO — CID 2773440

IUPAC2-(oxan-4-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCC1CCOCC1
InChIInChI=1S/C7H15NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H
InChIKeyPWGRVAAEDDBHCT-UHFFFAOYSA-N
MW165.66 g/mol
LogP-2.95
Rot. Bonds2

About 2-(oxan-4-yl)ethylazanium chloride

2-(oxan-4-yl)ethylazanium chloride (PubChem CID 2773440) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethylazanium chloride.

Molecular Properties

Compound Name2-(oxan-4-yl)ethylazanium chloride
PubChem CID2773440
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-(oxan-4-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCC1CCOCC1
InChIInChI=1S/C7H15NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H
InChIKeyPWGRVAAEDDBHCT-UHFFFAOYSA-N
XLogP-2.95
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 5-2.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethylazanium chloride?
The IUPAC name of 2-(oxan-4-yl)ethylazanium chloride (CID 2773440) is 2-(oxan-4-yl)ethylazanium chloride.
What is the SMILES notation for 2-(oxan-4-yl)ethylazanium chloride?
The canonical SMILES for 2-(oxan-4-yl)ethylazanium chloride is [Cl-].[NH3+]CCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethylazanium chloride?
The InChIKey is PWGRVAAEDDBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H.
What are the key properties of 2-(oxan-4-yl)ethylazanium chloride?
2-(oxan-4-yl)ethylazanium chloride has a molecular weight of 165.66 g/mol, XLogP of -2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethylazanium chloride is sourced from PubChem (CID 2773440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).