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

C21H38FN3 — CID 174347906

IUPAC2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C21H38FN3/c1-4-5-19(6-7-19)12-24-16-21(22,17-24)15-23-13-20(14-23)8-10-25(11-9-20)18(2)3/h18H,4-17H2,1-3H3
InChIKeyRZVNRUVXZZIGLX-UHFFFAOYSA-N
MW351.55 g/mol
LogP3.40
Rot. Bonds7

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

2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 174347906) has the molecular formula C21H38FN3 and a molecular weight of 351.55 g/mol. Its IUPAC name is 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID174347906
Molecular FormulaC21H38FN3
Molecular Weight351.55 g/mol
Exact Mass351.30
IUPAC Name2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1
InChIInChI=1S/C21H38FN3/c1-4-5-19(6-7-19)12-24-16-21(22,17-24)15-23-13-20(14-23)8-10-25(11-9-20)18(2)3/h18H,4-17H2,1-3H3
InChIKeyRZVNRUVXZZIGLX-UHFFFAOYSA-N
XLogP3.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-[4-(2-Fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane
CID 134476719
Ethane;2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 154671434
Ethane;2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 154671602
2-Propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 155044788
2-Propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 162617363
1-(3,3-Dimethylbutyl)-2-[4-(3-fluoroazetidin-1-yl)-2,2-dimethylbutyl]azetidine
CID 167284872
2-Ethyl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 169669529
2-[[4-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azepan-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171657979
1-[[3-Fluoro-1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]azetidin-3-yl]methyl]-4-propan-2-ylpiperazine
CID 171748224
2-[[7-Fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748286
2-[(3-Fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171748368
2-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171748423

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 174347906) is 2-[[3-fluoro-1-[(1-propylcyclopropyl)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-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CCCC1(CN2CC(F)(CN3CC4(CCN(C(C)C)CC4)C3)C2)CC1.
What is the InChIKey of 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is RZVNRUVXZZIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN3/c1-4-5-19(6-7-19)12-24-16-21(22,17-24)15-23-13-20(14-23)8-10-25(11-9-20)18(2)3/h18H,4-17H2,1-3H3.
What are the key properties of 2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[3-fluoro-1-[(1-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 351.55 g/mol, XLogP of 3.40, 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-propylcyclopropyl)methyl]azetidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174347906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).