dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium

C13H28NO2+ — CID 6934394

IUPACdimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium
SMILESC[C@H]1CC(C)(C)O[C@@H](C(C)(C)C[NH+](C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/p+1/t10-,11-/m0/s1
InChIKeyISIJXVZVUKMGND-QWRGUYRKSA-O
MW230.37 g/mol
LogP1.09
Rot. Bonds3

About dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium

dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium (PubChem CID 6934394) has the molecular formula C13H28NO2+ and a molecular weight of 230.37 g/mol. Its IUPAC name is dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium
PubChem CID6934394
Molecular FormulaC13H28NO2+
Molecular Weight230.37 g/mol
Exact Mass230.21
IUPAC Namedimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium
SMILESC[C@H]1CC(C)(C)O[C@@H](C(C)(C)C[NH+](C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/p+1/t10-,11-/m0/s1
InChIKeyISIJXVZVUKMGND-QWRGUYRKSA-O
XLogP1.09
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium?
The IUPAC name of dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium (CID 6934394) is dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium.
What is the SMILES notation for dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium?
The canonical SMILES for dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium is C[C@H]1CC(C)(C)O[C@@H](C(C)(C)C[NH+](C)C)O1.
What is the InChIKey of dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium?
The InChIKey is ISIJXVZVUKMGND-QWRGUYRKSA-O. The full InChI is InChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/p+1/t10-,11-/m0/s1.
What are the key properties of dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium?
dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium has a molecular weight of 230.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-2-[(2S,6S)-4,4,6-trimethyl-1,3-dioxan-2-yl]propyl]azanium is sourced from PubChem (CID 6934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).