6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one

C11H22N2O3 — CID 81204003

IUPAC6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c12-5-3-1-2-4-11(15)13-6-7-16-10(8-13)9-14/h10,14H,1-9,12H2
InChIKeyXXQXSIBBRSSGFN-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.27
Rot. Bonds6

About 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one

6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one (PubChem CID 81204003) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
PubChem CID81204003
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c12-5-3-1-2-4-11(15)13-6-7-16-10(8-13)9-14/h10,14H,1-9,12H2
InChIKeyXXQXSIBBRSSGFN-UHFFFAOYSA-N
XLogP-0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.27
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
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
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
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
1-[2-(hydroxymethyl)morpholin-4-yl]-4-phenylsulfanylbutan-1-one
CID 81208853
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one (CID 81204003) is 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one is NCCCCCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one?
The InChIKey is XXQXSIBBRSSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c12-5-3-1-2-4-11(15)13-6-7-16-10(8-13)9-14/h10,14H,1-9,12H2.
What are the key properties of 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one?
6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one is sourced from PubChem (CID 81204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).