ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

C12H25NO — CID 164878446

IUPACethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC.COCC1(CN2CCCC2)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-12-9-10(4-5-10)8-11-6-2-3-7-11;1-2/h2-9H2,1H3;1-2H3
InChIKeyMQTDUGYPJPKZOC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds4

About ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 164878446) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID164878446
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC.COCC1(CN2CCCC2)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-12-9-10(4-5-10)8-11-6-2-3-7-11;1-2/h2-9H2,1H3;1-2H3
InChIKeyMQTDUGYPJPKZOC-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
[1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 164904219
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 166533176
(3R)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167190956
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 164878446) is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is CC.COCC1(CN2CCCC2)CC1.
What is the InChIKey of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is MQTDUGYPJPKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-12-9-10(4-5-10)8-11-6-2-3-7-11;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 164878446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).