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

C6H14NO2+ — CID 6983654

IUPAC[(2S)-1,4-dioxan-2-yl]methyl-methylazanium
SMILESC[NH2+]C[C@H]1COCCO1
InChIInChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1
InChIKeyYYQGIBVMSBPIEC-LURJTMIESA-O
MW132.18 g/mol
LogP-1.40
Rot. Bonds2

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

[(2S)-1,4-dioxan-2-yl]methyl-methylazanium (PubChem CID 6983654) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is [(2S)-1,4-dioxan-2-yl]methyl-methylazanium.

Molecular Properties

Compound Name[(2S)-1,4-dioxan-2-yl]methyl-methylazanium
PubChem CID6983654
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name[(2S)-1,4-dioxan-2-yl]methyl-methylazanium
SMILESC[NH2+]C[C@H]1COCCO1
InChIInChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1
InChIKeyYYQGIBVMSBPIEC-LURJTMIESA-O
XLogP-1.40
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1,4-dioxan-2-yl]methyl-methylazanium chloride
CID 162408134
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4-dioxan-2-yl]methyl-methylazanium?
The IUPAC name of [(2S)-1,4-dioxan-2-yl]methyl-methylazanium (CID 6983654) is [(2S)-1,4-dioxan-2-yl]methyl-methylazanium.
What is the SMILES notation for [(2S)-1,4-dioxan-2-yl]methyl-methylazanium?
The canonical SMILES for [(2S)-1,4-dioxan-2-yl]methyl-methylazanium is C[NH2+]C[C@H]1COCCO1.
What is the InChIKey of [(2S)-1,4-dioxan-2-yl]methyl-methylazanium?
The InChIKey is YYQGIBVMSBPIEC-LURJTMIESA-O. The full InChI is InChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3/p+1/t6-/m0/s1.
What are the key properties of [(2S)-1,4-dioxan-2-yl]methyl-methylazanium?
[(2S)-1,4-dioxan-2-yl]methyl-methylazanium has a molecular weight of 132.18 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4-dioxan-2-yl]methyl-methylazanium is sourced from PubChem (CID 6983654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).