1-(1,4-dioxan-2-yl)-N-methylmethanamine

C6H13NO2 — CID 3614772

IUPAC1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNCC1COCCO1
InChIInChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3
InChIKeyYYQGIBVMSBPIEC-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.38
Rot. Bonds2

About 1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 3614772) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID3614772
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNCC1COCCO1
InChIInChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3
InChIKeyYYQGIBVMSBPIEC-UHFFFAOYSA-N
XLogP-0.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 3614772) is 1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is YYQGIBVMSBPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 131.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 3614772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).