3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine

C11H24N2O — CID 79409026

IUPAC3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine
SMILESCC1CN(C(C)C(C)CN)C(C)CO1
InChIInChI=1S/C11H24N2O/c1-8(5-12)11(4)13-6-10(3)14-7-9(13)2/h8-11H,5-7,12H2,1-4H3
InChIKeyZFYLATGATSYRCJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine

3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine (PubChem CID 79409026) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine
PubChem CID79409026
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine
SMILESCC1CN(C(C)C(C)CN)C(C)CO1
InChIInChI=1S/C11H24N2O/c1-8(5-12)11(4)13-6-10(3)14-7-9(13)2/h8-11H,5-7,12H2,1-4H3
InChIKeyZFYLATGATSYRCJ-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine (CID 79409026) is 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine is CC1CN(C(C)C(C)CN)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine?
The InChIKey is ZFYLATGATSYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(5-12)11(4)13-6-10(3)14-7-9(13)2/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine?
3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 79409026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).