2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium

C10H22NO2+ — CID 20663775

IUPAC2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
SMILESCCC1CC(CC)OC(CC[NH3+])O1
InChIInChI=1S/C10H21NO2/c1-3-8-7-9(4-2)13-10(12-8)5-6-11/h8-10H,3-7,11H2,1-2H3/p+1
InChIKeyCUTOZSXMVVEKTL-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.94
Rot. Bonds4

About 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium

2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium (PubChem CID 20663775) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium.

Molecular Properties

Compound Name2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
PubChem CID20663775
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
SMILESCCC1CC(CC)OC(CC[NH3+])O1
InChIInChI=1S/C10H21NO2/c1-3-8-7-9(4-2)13-10(12-8)5-6-11/h8-10H,3-7,11H2,1-2H3/p+1
InChIKeyCUTOZSXMVVEKTL-UHFFFAOYSA-O
XLogP0.94
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium?
The IUPAC name of 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium (CID 20663775) is 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium.
What is the SMILES notation for 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium?
The canonical SMILES for 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium is CCC1CC(CC)OC(CC[NH3+])O1.
What is the InChIKey of 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium?
The InChIKey is CUTOZSXMVVEKTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-3-8-7-9(4-2)13-10(12-8)5-6-11/h8-10H,3-7,11H2,1-2H3/p+1.
What are the key properties of 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium?
2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium has a molecular weight of 188.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium is sourced from PubChem (CID 20663775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).