ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol

C11H27NO2 — CID 168976522

IUPACethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
SMILESCC.CC(C)O.COC1CCN(C)C1
InChIInChI=1S/C6H13NO.C3H8O.C2H6/c1-7-4-3-6(5-7)8-2;1-3(2)4;1-2/h6H,3-5H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyHFRWPPKNAJKBEQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP1.75
Rot. Bonds1

About ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol

ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol (PubChem CID 168976522) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol.

Molecular Properties

Compound Nameethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
PubChem CID168976522
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
SMILESCC.CC(C)O.COC1CCN(C)C1
InChIInChI=1S/C6H13NO.C3H8O.C2H6/c1-7-4-3-6(5-7)8-2;1-3(2)4;1-2/h6H,3-5H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyHFRWPPKNAJKBEQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
CID 177009726
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537676
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
4-methoxy-1-methylazepane
CID 22967045
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol?
The IUPAC name of ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol (CID 168976522) is ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol.
What is the SMILES notation for ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol?
The canonical SMILES for ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol is CC.CC(C)O.COC1CCN(C)C1.
What is the InChIKey of ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol?
The InChIKey is HFRWPPKNAJKBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H8O.C2H6/c1-7-4-3-6(5-7)8-2;1-3(2)4;1-2/h6H,3-5H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol?
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol has a molecular weight of 205.34 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol is sourced from PubChem (CID 168976522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).