ethane;1-morpholin-4-ylhexan-1-one

C12H25NO2 — CID 143214280

IUPACethane;1-morpholin-4-ylhexan-1-one
SMILESCC.CCCCCC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2.C2H6/c1-2-3-4-5-10(12)11-6-8-13-9-7-11;1-2/h2-9H2,1H3;1-2H3
InChIKeyINNZBAROPXGDJX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds4

About ethane;1-morpholin-4-ylhexan-1-one

ethane;1-morpholin-4-ylhexan-1-one (PubChem CID 143214280) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Nameethane;1-morpholin-4-ylhexan-1-one
PubChem CID143214280
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;1-morpholin-4-ylhexan-1-one
SMILESCC.CCCCCC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2.C2H6/c1-2-3-4-5-10(12)11-6-8-13-9-7-11;1-2/h2-9H2,1H3;1-2H3
InChIKeyINNZBAROPXGDJX-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
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CID 55554342
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one
CID 54148316
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117

Frequently Asked Questions

What is the IUPAC name of ethane;1-morpholin-4-ylhexan-1-one?
The IUPAC name of ethane;1-morpholin-4-ylhexan-1-one (CID 143214280) is ethane;1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for ethane;1-morpholin-4-ylhexan-1-one?
The canonical SMILES for ethane;1-morpholin-4-ylhexan-1-one is CC.CCCCCC(=O)N1CCOCC1.
What is the InChIKey of ethane;1-morpholin-4-ylhexan-1-one?
The InChIKey is INNZBAROPXGDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-2-3-4-5-10(12)11-6-8-13-9-7-11;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-morpholin-4-ylhexan-1-one?
ethane;1-morpholin-4-ylhexan-1-one has a molecular weight of 215.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 143214280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).