5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one

C12H24N2O2 — CID 104683727

IUPAC5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-10(5-4-6-13)11(15)14-7-8-16-12(2,3)9-14/h10H,4-9,13H2,1-3H3
InChIKeyHKNFWFMPZDMREH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one

5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one (PubChem CID 104683727) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
PubChem CID104683727
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-10(5-4-6-13)11(15)14-7-8-16-12(2,3)9-14/h10H,4-9,13H2,1-3H3
InChIKeyHKNFWFMPZDMREH-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one (CID 104683727) is 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one?
The InChIKey is HKNFWFMPZDMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(5-4-6-13)11(15)14-7-8-16-12(2,3)9-14/h10H,4-9,13H2,1-3H3.
What are the key properties of 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one?
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one is sourced from PubChem (CID 104683727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).