ethane;2-(4-methylmorpholin-2-yl)propan-2-ol

C12H29NO2 — CID 177158798

IUPACethane;2-(4-methylmorpholin-2-yl)propan-2-ol
SMILESCC.CC.CN1CCOC(C(C)(C)O)C1
InChIInChI=1S/C8H17NO2.2C2H6/c1-8(2,10)7-6-9(3)4-5-11-7;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3
InChIKeyGMBYHJRETYPSLZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.14
Rot. Bonds1

About ethane;2-(4-methylmorpholin-2-yl)propan-2-ol

ethane;2-(4-methylmorpholin-2-yl)propan-2-ol (PubChem CID 177158798) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;2-(4-methylmorpholin-2-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(4-methylmorpholin-2-yl)propan-2-ol
PubChem CID177158798
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC Nameethane;2-(4-methylmorpholin-2-yl)propan-2-ol
SMILESCC.CC.CN1CCOC(C(C)(C)O)C1
InChIInChI=1S/C8H17NO2.2C2H6/c1-8(2,10)7-6-9(3)4-5-11-7;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3
InChIKeyGMBYHJRETYPSLZ-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluoro-4-methylmorpholine
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3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
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CID 114164684
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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylmorpholin-2-yl)propan-2-ol?
The IUPAC name of ethane;2-(4-methylmorpholin-2-yl)propan-2-ol (CID 177158798) is ethane;2-(4-methylmorpholin-2-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(4-methylmorpholin-2-yl)propan-2-ol?
The canonical SMILES for ethane;2-(4-methylmorpholin-2-yl)propan-2-ol is CC.CC.CN1CCOC(C(C)(C)O)C1.
What is the InChIKey of ethane;2-(4-methylmorpholin-2-yl)propan-2-ol?
The InChIKey is GMBYHJRETYPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.2C2H6/c1-8(2,10)7-6-9(3)4-5-11-7;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-(4-methylmorpholin-2-yl)propan-2-ol?
ethane;2-(4-methylmorpholin-2-yl)propan-2-ol has a molecular weight of 219.37 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylmorpholin-2-yl)propan-2-ol is sourced from PubChem (CID 177158798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).