(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine

C6H13NO2 — CID 175072652

IUPAC(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine
SMILESCN[C@@H]1CO[C@@H](C)CO1
InChIInChI=1S/C6H13NO2/c1-5-3-9-6(7-2)4-8-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyPFUGFOCTEDZKMF-WDSKDSINSA-N
MW131.18 g/mol
LogP-0.03
Rot. Bonds1

About (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine

(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine (PubChem CID 175072652) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine.

Molecular Properties

Compound Name(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine
PubChem CID175072652
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine
SMILESCN[C@@H]1CO[C@@H](C)CO1
InChIInChI=1S/C6H13NO2/c1-5-3-9-6(7-2)4-8-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyPFUGFOCTEDZKMF-WDSKDSINSA-N
XLogP-0.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
(2S)-N-methyl-1,4-dioxan-2-amine
CID 161070139
magnesium;hydride;2-methyloxirane
CID 173126818
zinc;2-methyloxirane;dichloride
CID 21163562
2-methyloxirane;molecular iodine
CID 91277313
(2-methyloxirane);oxirane
CID 173423277
2-methyloxirane;2-propan-2-yloxypropane
CID 121301937
benzene;ethane;2-methyloxirane
CID 91562382
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine?
The IUPAC name of (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine (CID 175072652) is (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine.
What is the SMILES notation for (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine?
The canonical SMILES for (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine is CN[C@@H]1CO[C@@H](C)CO1.
What is the InChIKey of (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine?
The InChIKey is PFUGFOCTEDZKMF-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-3-9-6(7-2)4-8-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine?
(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine has a molecular weight of 131.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine is sourced from PubChem (CID 175072652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).