1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine

C9H19NO2 — CID 167099119

IUPAC1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine
SMILESCNC(C)C1CCOC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-7(10-4)8-5-6-11-9(2,3)12-8/h7-8,10H,5-6H2,1-4H3
InChIKeyZECYJAFKXHHXFB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine

1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine (PubChem CID 167099119) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine
PubChem CID167099119
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine
SMILESCNC(C)C1CCOC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-7(10-4)8-5-6-11-9(2,3)12-8/h7-8,10H,5-6H2,1-4H3
InChIKeyZECYJAFKXHHXFB-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine
CID 11084629
4,4-diethoxytetrahydro-2H-pyran-3-amine
CID 12298560
N-ethyl-4,6-dimethoxyoxan-3-amine
CID 14683587
9-Ethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 19883360
3,3-Diethoxypiperidine
CID 21482822
2-(Methylamino)ethyl tetrahydropyran-4-yl carbonate
CID 23071197
1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
CID 54256172
(2S,3S,4S,6S)-4-methoxy-N,2,6-trimethyloxan-3-amine
CID 57669752
(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine
CID 59038624
(3S)-4,4-diethoxytetrahydro-2H-pyran-3-amine
CID 60209899
Ethyl (6-methylpiperidin-3-yl) carbonate
CID 67882011
N-methyl-1-(2-methyl-1,3-dioxan-2-yl)ethanamine
CID 68391213

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine (CID 167099119) is 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine is CNC(C)C1CCOC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine?
The InChIKey is ZECYJAFKXHHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(10-4)8-5-6-11-9(2,3)12-8/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine?
1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 167099119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).