2,5-dimethyl-1,3-dioxan-5-amine

C6H13NO2 — CID 55290612

IUPAC2,5-dimethyl-1,3-dioxan-5-amine
SMILESCC1OCC(C)(N)CO1
InChIInChI=1S/C6H13NO2/c1-5-8-3-6(2,7)4-9-5/h5H,3-4,7H2,1-2H3
InChIKeyKUSBHAYQZZCVED-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.10
Rot. Bonds

About 2,5-dimethyl-1,3-dioxan-5-amine

2,5-dimethyl-1,3-dioxan-5-amine (PubChem CID 55290612) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,5-dimethyl-1,3-dioxan-5-amine
PubChem CID55290612
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2,5-dimethyl-1,3-dioxan-5-amine
SMILESCC1OCC(C)(N)CO1
InChIInChI=1S/C6H13NO2/c1-5-8-3-6(2,7)4-9-5/h5H,3-4,7H2,1-2H3
InChIKeyKUSBHAYQZZCVED-UHFFFAOYSA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine
CID 14537230
2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
CID 28364
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
2-methyl-1,3-dioxan-5-amine
CID 20522526
2,4,4,9-tetramethyl-1,5,7,11-tetraoxa-6-boranuidaspiro[5.5]undecan-9-amine
CID 134108879
[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
CID 153447617
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
CID 145425502
3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3732384
3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane
CID 87779205
1,4-dimethyl-2,6,7-trioxa-1-phosphoniabicyclo[2.2.2]octane
CID 23415185
methane;2-methyl-1,3-dioxane
CID 144526875

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of 2,5-dimethyl-1,3-dioxan-5-amine (CID 55290612) is 2,5-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2,5-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for 2,5-dimethyl-1,3-dioxan-5-amine is CC1OCC(C)(N)CO1.
What is the InChIKey of 2,5-dimethyl-1,3-dioxan-5-amine?
The InChIKey is KUSBHAYQZZCVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-8-3-6(2,7)4-9-5/h5H,3-4,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-dioxan-5-amine?
2,5-dimethyl-1,3-dioxan-5-amine has a molecular weight of 131.17 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 55290612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).