2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

C20H36FN3 — CID 174276775

IUPAC2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CN(C)C2)C3)CC1
InChIInChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-23-8-6-19(7-9-23)12-24(13-19)16-20(21)14-22(3)15-20/h17H,4-16H2,1-3H3
InChIKeyQXFGEGWUGNBBAD-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 174276775) has the molecular formula C20H36FN3 and a molecular weight of 337.53 g/mol. Its IUPAC name is 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID174276775
Molecular FormulaC20H36FN3
Molecular Weight337.53 g/mol
Exact Mass337.29
IUPAC Name2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CN(C)C2)C3)CC1
InChIInChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-23-8-6-19(7-9-23)12-24(13-19)16-20(21)14-22(3)15-20/h17H,4-16H2,1-3H3
InChIKeyQXFGEGWUGNBBAD-UHFFFAOYSA-N
XLogP2.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 174276775) is 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CN(C)C2)C3)CC1.
What is the InChIKey of 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is QXFGEGWUGNBBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-23-8-6-19(7-9-23)12-24(13-19)16-20(21)14-22(3)15-20/h17H,4-16H2,1-3H3.
What are the key properties of 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 337.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174276775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).