3-[(4-methylmorpholin-2-yl)methylamino]propanamide

C9H19N3O2 — CID 78945349

IUPAC3-[(4-methylmorpholin-2-yl)methylamino]propanamide
SMILESCN1CCOC(CNCCC(N)=O)C1
InChIInChI=1S/C9H19N3O2/c1-12-4-5-14-8(7-12)6-11-3-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13)
InChIKeyRMRBCXUGNJQRNZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.22
Rot. Bonds5

About 3-[(4-methylmorpholin-2-yl)methylamino]propanamide

3-[(4-methylmorpholin-2-yl)methylamino]propanamide (PubChem CID 78945349) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylamino]propanamide
PubChem CID78945349
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[(4-methylmorpholin-2-yl)methylamino]propanamide
SMILESCN1CCOC(CNCCC(N)=O)C1
InChIInChI=1S/C9H19N3O2/c1-12-4-5-14-8(7-12)6-11-3-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13)
InChIKeyRMRBCXUGNJQRNZ-UHFFFAOYSA-N
XLogP-1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
CID 79071738
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]propanamide (CID 78945349) is 3-[(4-methylmorpholin-2-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylamino]propanamide is CN1CCOC(CNCCC(N)=O)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The InChIKey is RMRBCXUGNJQRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12-4-5-14-8(7-12)6-11-3-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13).
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
3-[(4-methylmorpholin-2-yl)methylamino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylamino]propanamide is sourced from PubChem (CID 78945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).