5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine

C9H19NO2 — CID 158022985

IUPAC5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine
SMILESCCC1(NC)COC(C)(C)OC1
InChIInChI=1S/C9H19NO2/c1-5-9(10-4)6-11-8(2,3)12-7-9/h10H,5-7H2,1-4H3
InChIKeyGHUIKKLLHYXPLR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds2

About 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine

5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine (PubChem CID 158022985) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine
PubChem CID158022985
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine
SMILESCCC1(NC)COC(C)(C)OC1
InChIInChI=1S/C9H19NO2/c1-5-9(10-4)6-11-8(2,3)12-7-9/h10H,5-7H2,1-4H3
InChIKeyGHUIKKLLHYXPLR-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine?
The IUPAC name of 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine (CID 158022985) is 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine?
The canonical SMILES for 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine is CCC1(NC)COC(C)(C)OC1.
What is the InChIKey of 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine?
The InChIKey is GHUIKKLLHYXPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(10-4)6-11-8(2,3)12-7-9/h10H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine?
5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine 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 5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 158022985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).