1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine

C9H22N2O2 — CID 158977401

IUPAC1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine
SMILESCN.CNCC1COC(C)(C)OC1
InChIInChI=1S/C8H17NO2.CH5N/c1-8(2)10-5-7(4-9-3)6-11-8;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyJOOIPQIXUXLDGX-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.18
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine

1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine (PubChem CID 158977401) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine
PubChem CID158977401
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine
SMILESCN.CNCC1COC(C)(C)OC1
InChIInChI=1S/C8H17NO2.CH5N/c1-8(2)10-5-7(4-9-3)6-11-8;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyJOOIPQIXUXLDGX-UHFFFAOYSA-N
XLogP0.18
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine (CID 158977401) is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine is CN.CNCC1COC(C)(C)OC1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine?
The InChIKey is JOOIPQIXUXLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.CH5N/c1-8(2)10-5-7(4-9-3)6-11-8;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine?
1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine has a molecular weight of 190.29 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine is sourced from PubChem (CID 158977401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).