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

C20H36FN3 — CID 174348574

IUPAC2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC(F)(CN3CC4(CCN(C)CC4)C3)C2)CC1
InChIInChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-24-15-20(21,16-24)14-23-12-19(13-23)6-8-22(3)9-7-19/h17H,4-16H2,1-3H3
InChIKeyPNZUKZAWEYNBLU-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.86
Rot. Bonds6

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

2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 174348574) has the molecular formula C20H36FN3 and a molecular weight of 337.53 g/mol. Its IUPAC name is 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID174348574
Molecular FormulaC20H36FN3
Molecular Weight337.53 g/mol
Exact Mass337.29
IUPAC Name2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC(F)(CN3CC4(CCN(C)CC4)C3)C2)CC1
InChIInChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-24-15-20(21,16-24)14-23-12-19(13-23)6-8-22(3)9-7-19/h17H,4-16H2,1-3H3
InChIKeyPNZUKZAWEYNBLU-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-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane (CID 174348574) is 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CC(F)(CN3CC4(CCN(C)CC4)C3)C2)CC1.
What is the InChIKey of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PNZUKZAWEYNBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN3/c1-17(2)10-18(4-5-18)11-24-15-20(21,16-24)14-23-12-19(13-23)6-8-22(3)9-7-19/h17H,4-16H2,1-3H3.
What are the key properties of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane?
2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-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-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).