3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane

C13H23NO — CID 176939346

IUPAC3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
SMILESCCOCC1(CN2CC3CC(C3)C2)CC1
InChIInChI=1S/C13H23NO/c1-2-15-10-13(3-4-13)9-14-7-11-5-12(6-11)8-14/h11-12H,2-10H2,1H3
InChIKeyYKDIIYBBKMWKJB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane

3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane (PubChem CID 176939346) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
PubChem CID176939346
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
SMILESCCOCC1(CN2CC3CC(C3)C2)CC1
InChIInChI=1S/C13H23NO/c1-2-15-10-13(3-4-13)9-14-7-11-5-12(6-11)8-14/h11-12H,2-10H2,1H3
InChIKeyYKDIIYBBKMWKJB-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 170368803
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 170601732
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
CID 178038248
3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174148896
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 170276303
3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 170777503
8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 90461642
[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol
CID 177010209
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
CID 114196547

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane (CID 176939346) is 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane is CCOCC1(CN2CC3CC(C3)C2)CC1.
What is the InChIKey of 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane?
The InChIKey is YKDIIYBBKMWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-15-10-13(3-4-13)9-14-7-11-5-12(6-11)8-14/h11-12H,2-10H2,1H3.
What are the key properties of 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane?
3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane has a molecular weight of 209.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176939346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).