3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine

C15H30N2O2 — CID 114830648

IUPAC3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(COC)C2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-13-8-15(16,14(13,2)3)11-17-7-6-12(9-17)10-18-4/h12-13H,5-11,16H2,1-4H3
InChIKeyYTONKRGYRBFWRK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.49
Rot. Bonds6

About 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830648) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114830648
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(COC)C2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-13-8-15(16,14(13,2)3)11-17-7-6-12(9-17)10-18-4/h12-13H,5-11,16H2,1-4H3
InChIKeyYTONKRGYRBFWRK-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 106587370
3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 103534678
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674
1-[(2,5-dimethylpiperidin-1-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830668
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 107456220
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyrrolidine
CID 64597347
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
3-ethoxy-1-[[(3-methoxycyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114119860
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114830648) is 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN2CCC(COC)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YTONKRGYRBFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-19-13-8-15(16,14(13,2)3)11-17-7-6-12(9-17)10-18-4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).