2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine

C8H17NO2 — CID 142709204

IUPAC2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1COCOC1
InChIInChI=1S/C8H17NO2/c1-9(2)4-3-8-5-10-7-11-6-8/h8H,3-7H2,1-2H3
InChIKeyCENPFYFQZHODTC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.56
Rot. Bonds3

About 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine

2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine (PubChem CID 142709204) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine
PubChem CID142709204
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1COCOC1
InChIInChI=1S/C8H17NO2/c1-9(2)4-3-8-5-10-7-11-6-8/h8H,3-7H2,1-2H3
InChIKeyCENPFYFQZHODTC-UHFFFAOYSA-N
XLogP0.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine (CID 142709204) is 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine is CN(C)CCC1COCOC1.
What is the InChIKey of 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine?
The InChIKey is CENPFYFQZHODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)4-3-8-5-10-7-11-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine?
2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 142709204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).