4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one

C10H20N2O2 — CID 60842403

IUPAC4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCNCCCC(=O)N1CCOCC1C
InChIInChI=1S/C10H20N2O2/c1-9-8-14-7-6-12(9)10(13)4-3-5-11-2/h9,11H,3-8H2,1-2H3
InChIKeyPKULELNVMIOHFT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

About 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one

4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one (PubChem CID 60842403) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
PubChem CID60842403
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCNCCCC(=O)N1CCOCC1C
InChIInChI=1S/C10H20N2O2/c1-9-8-14-7-6-12(9)10(13)4-3-5-11-2/h9,11H,3-8H2,1-2H3
InChIKeyPKULELNVMIOHFT-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one (CID 60842403) is 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one is CNCCCC(=O)N1CCOCC1C.
What is the InChIKey of 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one?
The InChIKey is PKULELNVMIOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9-8-14-7-6-12(9)10(13)4-3-5-11-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one?
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 60842403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).