1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

C14H26N2O2 — CID 103166996

IUPAC1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCCC1(N)CN(C(=O)CC2CC(OCC)C2)C1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(15)9-16(10-14)13(17)8-11-6-12(7-11)18-4-2/h11-12H,3-10,15H2,1-2H3
InChIKeyGIYVNZKNAQEWPG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds6

About 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103166996) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103166996
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCCC1(N)CN(C(=O)CC2CC(OCC)C2)C1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(15)9-16(10-14)13(17)8-11-6-12(7-11)18-4-2/h11-12H,3-10,15H2,1-2H3
InChIKeyGIYVNZKNAQEWPG-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103163779
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
1-[3-(chloromethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166602
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
CID 103163584

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103166996) is 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCCC1(N)CN(C(=O)CC2CC(OCC)C2)C1.
What is the InChIKey of 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is GIYVNZKNAQEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-14(15)9-16(10-14)13(17)8-11-6-12(7-11)18-4-2/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103166996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).