[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride

C6H14ClNO2 — CID 162408134

IUPAC[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride
SMILESC[NH2+]C[C@@H]1COCCO1.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyMUZNZRLDNIWRKI-FYZOBXCZSA-N
MW167.64 g/mol
LogP-4.40
Rot. Bonds2

About [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride

[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride (PubChem CID 162408134) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride.

Molecular Properties

Compound Name[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride
PubChem CID162408134
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride
SMILESC[NH2+]C[C@@H]1COCCO1.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyMUZNZRLDNIWRKI-FYZOBXCZSA-N
XLogP-4.40
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-4.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride?
The IUPAC name of [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride (CID 162408134) is [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride.
What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride?
The canonical SMILES for [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride is C[NH2+]C[C@@H]1COCCO1.[Cl-].
What is the InChIKey of [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride?
The InChIKey is MUZNZRLDNIWRKI-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride?
[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride has a molecular weight of 167.64 g/mol, XLogP of -4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride is sourced from PubChem (CID 162408134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).