ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

C13H29NO — CID 164878448

IUPACethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCCN(CC)CC1(COC)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-4-8-12(5-2)9-11(6-7-11)10-13-3;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyZYTCDHMSBGIVGR-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds7

About ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 164878448) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID164878448
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCCN(CC)CC1(COC)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-4-8-12(5-2)9-11(6-7-11)10-13-3;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyZYTCDHMSBGIVGR-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

{1-[(Diethylamino)methyl]cyclopropyl}methanol
CID 94252158
(1-{[Ethyl(methyl)amino]methyl}cyclopropyl)methanol
CID 115243301
[1-[(Dimethylamino)methyl]cyclopropyl]methyl hypofluorite
CID 156898390
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
(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
(3S)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167254755
1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169145450
ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169146071
3-Fluoro-1-[[1-(propoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 169572965

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (CID 164878448) is ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is CC.CCCN(CC)CC1(COC)CC1.
What is the InChIKey of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is ZYTCDHMSBGIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-4-8-12(5-2)9-11(6-7-11)10-13-3;1-2/h4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 164878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).