1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine

C10H21NO2 — CID 54256172

IUPAC1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
SMILESCCC1CC(C)OC(C)(CNC)O1
InChIInChI=1S/C10H21NO2/c1-5-9-6-8(2)12-10(3,13-9)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRAFSZPLTMVBFLX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds3

About 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine

1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine (PubChem CID 54256172) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
PubChem CID54256172
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
SMILESCCC1CC(C)OC(C)(CNC)O1
InChIInChI=1S/C10H21NO2/c1-5-9-6-8(2)12-10(3,13-9)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRAFSZPLTMVBFLX-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6S)-2-(chloromethyl)-2,4,6-trimethyl-1,3-dioxane
CID 102351638
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
1-(3,5-dimethyloxolan-3-yl)-N-methylmethanamine
CID 91547926
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
5-ethyl-3,3a-dimethyl-3,5,6,6a-tetrahydrofuro[3,2-c]oxathiole 1,1-dioxide
CID 147494307
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
7-ethyl-5-methyl-6-oxaspiro[2.5]octane
CID 163974416
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
5-ethyl-2-methyloxolan-3-amine
CID 59712801
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine (CID 54256172) is 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine is CCC1CC(C)OC(C)(CNC)O1.
What is the InChIKey of 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is RAFSZPLTMVBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9-6-8(2)12-10(3,13-9)7-11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine?
1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 54256172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).