ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane

C17H40N2O4 — CID 177013198

IUPACethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane
SMILESCC.CCC.CN(CCO)C1COC1.OCCN1CCOCC1
InChIInChI=1S/2C6H13NO2.C3H8.C2H6/c8-4-1-7-2-5-9-6-3-7;1-7(2-3-8)6-4-9-5-6;1-3-2;1-2/h8H,1-6H2;6,8H,2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyOETMGCKNOCVNJE-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.06
Rot. Bonds5

About ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane

ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane (PubChem CID 177013198) has the molecular formula C17H40N2O4 and a molecular weight of 336.52 g/mol. Its IUPAC name is ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane.

Molecular Properties

Compound Nameethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane
PubChem CID177013198
Molecular FormulaC17H40N2O4
Molecular Weight336.52 g/mol
Exact Mass336.30
IUPAC Nameethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane
SMILESCC.CCC.CN(CCO)C1COC1.OCCN1CCOCC1
InChIInChI=1S/2C6H13NO2.C3H8.C2H6/c8-4-1-7-2-5-9-6-3-7;1-7(2-3-8)6-4-9-5-6;1-3-2;1-2/h8H,1-6H2;6,8H,2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyOETMGCKNOCVNJE-UHFFFAOYSA-N
XLogP1.06
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane?
The IUPAC name of ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane (CID 177013198) is ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane.
What is the SMILES notation for ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane?
The canonical SMILES for ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane is CC.CCC.CN(CCO)C1COC1.OCCN1CCOCC1.
What is the InChIKey of ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane?
The InChIKey is OETMGCKNOCVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO2.C3H8.C2H6/c8-4-1-7-2-5-9-6-3-7;1-7(2-3-8)6-4-9-5-6;1-3-2;1-2/h8H,1-6H2;6,8H,2-5H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane?
ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane has a molecular weight of 336.52 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane is sourced from PubChem (CID 177013198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).