2-(aminomethyl)-4,5-dimethylmorpholin-3-one

C7H14N2O2 — CID 171532110

IUPAC2-(aminomethyl)-4,5-dimethylmorpholin-3-one
SMILESCC1COC(CN)C(=O)N1C
InChIInChI=1S/C7H14N2O2/c1-5-4-11-6(3-8)7(10)9(5)2/h5-6H,3-4,8H2,1-2H3
InChIKeyMHWNUDBQDUHLAQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds1

About 2-(aminomethyl)-4,5-dimethylmorpholin-3-one

2-(aminomethyl)-4,5-dimethylmorpholin-3-one (PubChem CID 171532110) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(aminomethyl)-4,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name2-(aminomethyl)-4,5-dimethylmorpholin-3-one
PubChem CID171532110
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(aminomethyl)-4,5-dimethylmorpholin-3-one
SMILESCC1COC(CN)C(=O)N1C
InChIInChI=1S/C7H14N2O2/c1-5-4-11-6(3-8)7(10)9(5)2/h5-6H,3-4,8H2,1-2H3
InChIKeyMHWNUDBQDUHLAQ-UHFFFAOYSA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4,5-dimethylmorpholin-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-(aminomethyl)-1,4-dimethylazetidin-2-one
CID 20715925
[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
CID 165409413
5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
CID 83845475
3-fluoro-1,5-dimethylpyrrolidin-2-one
CID 118331524
4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
CID 105428130
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
CID 114959630
9-amino-3,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853096
(4-cyclohexyl-5-methylmorpholin-2-yl)methanamine
CID 81217618
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,5-dimethylmorpholin-3-one?
The IUPAC name of 2-(aminomethyl)-4,5-dimethylmorpholin-3-one (CID 171532110) is 2-(aminomethyl)-4,5-dimethylmorpholin-3-one.
What is the SMILES notation for 2-(aminomethyl)-4,5-dimethylmorpholin-3-one?
The canonical SMILES for 2-(aminomethyl)-4,5-dimethylmorpholin-3-one is CC1COC(CN)C(=O)N1C.
What is the InChIKey of 2-(aminomethyl)-4,5-dimethylmorpholin-3-one?
The InChIKey is MHWNUDBQDUHLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-4-11-6(3-8)7(10)9(5)2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4,5-dimethylmorpholin-3-one?
2-(aminomethyl)-4,5-dimethylmorpholin-3-one has a molecular weight of 158.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,5-dimethylmorpholin-3-one is sourced from PubChem (CID 171532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).