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

C12H24N2O3 — CID 106658055

IUPAC2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCN2CCOCC2)CO1
InChIInChI=1S/C12H24N2O3/c1-12(2)16-9-11(10-17-12)13-3-4-14-5-7-15-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyIMFCCGARASYYEP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.06
Rot. Bonds4

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

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine (PubChem CID 106658055) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine
PubChem CID106658055
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCN2CCOCC2)CO1
InChIInChI=1S/C12H24N2O3/c1-12(2)16-9-11(10-17-12)13-3-4-14-5-7-15-8-6-14/h11,13H,3-10H2,1-2H3
InChIKeyIMFCCGARASYYEP-UHFFFAOYSA-N
XLogP0.06
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.06
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-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine (CID 106658055) is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine is CC1(C)OCC(NCCN2CCOCC2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine?
The InChIKey is IMFCCGARASYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2)16-9-11(10-17-12)13-3-4-14-5-7-15-8-6-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine has a molecular weight of 244.33 g/mol, XLogP of 0.06, 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-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 106658055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).