2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane

C13H29NO2 — CID 142378975

IUPAC2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane
SMILESCC.CC(C)(C)C1COC(C(C)(C)N)CO1
InChIInChI=1S/C11H23NO2.C2H6/c1-10(2,3)8-6-14-9(7-13-8)11(4,5)12;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3
InChIKeyONBWNNOOYZZDEN-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.58
Rot. Bonds1

About 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane

2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane (PubChem CID 142378975) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane.

Molecular Properties

Compound Name2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane
PubChem CID142378975
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane
SMILESCC.CC(C)(C)C1COC(C(C)(C)N)CO1
InChIInChI=1S/C11H23NO2.C2H6/c1-10(2,3)8-6-14-9(7-13-8)11(4,5)12;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3
InChIKeyONBWNNOOYZZDEN-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane?
The IUPAC name of 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane (CID 142378975) is 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane.
What is the SMILES notation for 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane?
The canonical SMILES for 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane is CC.CC(C)(C)C1COC(C(C)(C)N)CO1.
What is the InChIKey of 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane?
The InChIKey is ONBWNNOOYZZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6/c1-10(2,3)8-6-14-9(7-13-8)11(4,5)12;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3.
What are the key properties of 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane?
2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane has a molecular weight of 231.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane is sourced from PubChem (CID 142378975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).