5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one

C10H20N2O3 — CID 81202936

IUPAC5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H20N2O3/c11-4-2-1-3-10(14)12-5-6-15-9(7-12)8-13/h9,13H,1-8,11H2
InChIKeyNHBBOWUNNLJTKX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.66
Rot. Bonds5

About 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one

5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one (PubChem CID 81202936) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
PubChem CID81202936
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H20N2O3/c11-4-2-1-3-10(14)12-5-6-15-9(7-12)8-13/h9,13H,1-8,11H2
InChIKeyNHBBOWUNNLJTKX-UHFFFAOYSA-N
XLogP-0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.66
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

7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
CID 81203461
6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
CID 81204003
6-amino-1-(2-ethyl-1,4-oxazepan-4-yl)hexan-1-one
CID 114218375
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
1-[2-(hydroxymethyl)morpholin-4-yl]-4-phenylsulfanylbutan-1-one
CID 81208853
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
CID 81206421
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one (CID 81202936) is 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one is NCCCCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one?
The InChIKey is NHBBOWUNNLJTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-4-2-1-3-10(14)12-5-6-15-9(7-12)8-13/h9,13H,1-8,11H2.
What are the key properties of 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one?
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 81202936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).