2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine

C8H17NO2 — CID 115062827

IUPAC2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
SMILESCC1COC(C)(CCN)OC1
InChIInChI=1S/C8H17NO2/c1-7-5-10-8(2,3-4-9)11-6-7/h7H,3-6,9H2,1-2H3
InChIKeyHZKNUJPMRQHGQP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds2

About 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine

2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine (PubChem CID 115062827) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
PubChem CID115062827
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
SMILESCC1COC(C)(CCN)OC1
InChIInChI=1S/C8H17NO2/c1-7-5-10-8(2,3-4-9)11-6-7/h7H,3-6,9H2,1-2H3
InChIKeyHZKNUJPMRQHGQP-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azidomethyl)-2,5-dimethyl-1,3-dioxane
CID 150809746
methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
2,2-diethyl-5-methyl-1,3-dioxane
CID 59269402
1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
CID 83906952
3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol
CID 82024443
2-(3,7-dimethyl-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanamine
CID 115062966
2,5-dimethyl-2-[(Z)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxane
CID 90238999
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine
CID 167741646
2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane
CID 20693718
CID 174094547
CID 174094547
8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 69488227

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine (CID 115062827) is 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine is CC1COC(C)(CCN)OC1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine?
The InChIKey is HZKNUJPMRQHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-10-8(2,3-4-9)11-6-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine?
2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine is sourced from PubChem (CID 115062827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).