2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one

C11H22N2O2 — CID 117008575

IUPAC2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
SMILESCNCC1OCCN(CCC(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-9(2)4-5-13-6-7-15-10(8-12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyYKDBLLONKNVOLU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds5

About 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one

2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one (PubChem CID 117008575) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
PubChem CID117008575
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
SMILESCNCC1OCCN(CCC(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-9(2)4-5-13-6-7-15-10(8-12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyYKDBLLONKNVOLU-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-methylbutyl)-3-oxomorpholin-2-yl]propanoic acid
CID 117008445
4-(3-methylbutyl)morpholin-3-one
CID 58222536
(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one
CID 137390831
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
4-(3-methylbutyl)-3-methylidenemorpholine
CID 161248500
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
CID 117002464
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
1-(5-methylhexyl)imidazolidin-2-one
CID 115370813

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one?
The IUPAC name of 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one (CID 117008575) is 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one.
What is the SMILES notation for 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one?
The canonical SMILES for 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one is CNCC1OCCN(CCC(C)C)C1=O.
What is the InChIKey of 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one?
The InChIKey is YKDBLLONKNVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)4-5-13-6-7-15-10(8-12-3)11(13)14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one?
2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one is sourced from PubChem (CID 117008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).