2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine

C13H26N2O3 — CID 106658227

IUPAC2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine
SMILESCC(CN1CCOCC1)NC1COC(C)(C)OC1
InChIInChI=1S/C13H26N2O3/c1-11(8-15-4-6-16-7-5-15)14-12-9-17-13(2,3)18-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyUBTZTNHTBYYEDV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.45
Rot. Bonds4

About 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine (PubChem CID 106658227) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine
PubChem CID106658227
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine
SMILESCC(CN1CCOCC1)NC1COC(C)(C)OC1
InChIInChI=1S/C13H26N2O3/c1-11(8-15-4-6-16-7-5-15)14-12-9-17-13(2,3)18-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyUBTZTNHTBYYEDV-UHFFFAOYSA-N
XLogP0.45
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine (CID 106658227) is 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine is CC(CN1CCOCC1)NC1COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine?
The InChIKey is UBTZTNHTBYYEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(8-15-4-6-16-7-5-15)14-12-9-17-13(2,3)18-10-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine has a molecular weight of 258.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).