ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine

C12H29NO — CID 144977158

IUPACethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCC.CC.COCC1CC(C)N(C)C1
InChIInChI=1S/C8H17NO.2C2H6/c1-7-4-8(6-10-3)5-9(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyBMHGACRXYHECLG-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.03
Rot. Bonds2

About ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine

ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine (PubChem CID 144977158) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
PubChem CID144977158
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCC.CC.COCC1CC(C)N(C)C1
InChIInChI=1S/C8H17NO.2C2H6/c1-7-4-8(6-10-3)5-9(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyBMHGACRXYHECLG-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 67681529
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
(2R)-4-(methoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 89094421
(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidine-2-carboxylic acid
CID 121230981
2-[(E)-3,3-dimethylbut-1-enyl]-4-(methoxymethyl)-1-methylpyrrolidine
CID 164922042
methoxymethane;1,2,4-trimethylpyrrolidine
CID 166533533
4-heptyl-1,2-dimethylpyrrolidine
CID 177227057
1-[4-(methoxymethyl)-2-methylpyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 90136827
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 22013148
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine
CID 82714770

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine?
The IUPAC name of ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine (CID 144977158) is ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine?
The canonical SMILES for ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine is CC.CC.COCC1CC(C)N(C)C1.
What is the InChIKey of ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine?
The InChIKey is BMHGACRXYHECLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.2C2H6/c1-7-4-8(6-10-3)5-9(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine?
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine has a molecular weight of 203.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 144977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).