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

C22H40FN3 — CID 171748538

IUPAC2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-25-16-22(23,17-25)15-24-13-21(14-24)7-9-26(10-8-21)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyVWZYSGCJZAEUOG-UHFFFAOYSA-N
MW365.58 g/mol
LogP3.64
Rot. Bonds7

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

2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 171748538) has the molecular formula C22H40FN3 and a molecular weight of 365.58 g/mol. Its IUPAC name is 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID171748538
Molecular FormulaC22H40FN3
Molecular Weight365.58 g/mol
Exact Mass365.32
IUPAC Name2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-25-16-22(23,17-25)15-24-13-21(14-24)7-9-26(10-8-21)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyVWZYSGCJZAEUOG-UHFFFAOYSA-N
XLogP3.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.58
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 171748538) is 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-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-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1.
What is the InChIKey of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is VWZYSGCJZAEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-25-16-22(23,17-25)15-24-13-21(14-24)7-9-26(10-8-21)19(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[3-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 365.58 g/mol, XLogP of 3.64, 7 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-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171748538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).