ethane;4-methylmorpholine

C7H17NO — CID 54432133

IUPACethane;4-methylmorpholine
SMILESCC.CN1CCOCC1
InChIInChI=1S/C5H11NO.C2H6/c1-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyWIFDWKCUSMSCGW-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.97
Rot. Bonds

About ethane;4-methylmorpholine

ethane;4-methylmorpholine (PubChem CID 54432133) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;4-methylmorpholine.

Molecular Properties

Compound Nameethane;4-methylmorpholine
PubChem CID54432133
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;4-methylmorpholine
SMILESCC.CN1CCOCC1
InChIInChI=1S/C5H11NO.C2H6/c1-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyWIFDWKCUSMSCGW-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
lithium;4-methylmorpholine;chloride
CID 172748649
butane;bis(4-methylmorpholine)
CID 159010392
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
7-methyl-1,4,7-dioxazecane
CID 59020799
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
2,3-dimethylbutane-2,3-diamine;4-methylmorpholine
CID 175487016
4-methylmorpholine;sulfuric acid
CID 146295231
buta-1,3-diene;ethane;4-methyl-1,4-oxazepane
CID 142311496
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylmorpholine?
The IUPAC name of ethane;4-methylmorpholine (CID 54432133) is ethane;4-methylmorpholine.
What is the SMILES notation for ethane;4-methylmorpholine?
The canonical SMILES for ethane;4-methylmorpholine is CC.CN1CCOCC1.
What is the InChIKey of ethane;4-methylmorpholine?
The InChIKey is WIFDWKCUSMSCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methylmorpholine?
ethane;4-methylmorpholine has a molecular weight of 131.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylmorpholine is sourced from PubChem (CID 54432133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).