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

C22H40FN3 — CID 171748368

IUPAC2-[(3-fluoro-1-propan-2-ylazetidin-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(C)C)C2)C3)CC1
InChIInChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-24-9-7-21(8-10-24)13-25(14-21)15-22(23)16-26(17-22)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyFJVHWYHGXMJVQV-UHFFFAOYSA-N
MW365.58 g/mol
LogP3.64
Rot. Bonds7

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

2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 171748368) has the molecular formula C22H40FN3 and a molecular weight of 365.58 g/mol. Its IUPAC name is 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID171748368
Molecular FormulaC22H40FN3
Molecular Weight365.58 g/mol
Exact Mass365.32
IUPAC Name2-[(3-fluoro-1-propan-2-ylazetidin-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(C)C)C2)C3)CC1
InChIInChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-24-9-7-21(8-10-24)13-25(14-21)15-22(23)16-26(17-22)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyFJVHWYHGXMJVQV-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 171748368) is 2-[(3-fluoro-1-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(3-fluoro-1-propan-2-ylazetidin-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(C)C)C2)C3)CC1.
What is the InChIKey of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is FJVHWYHGXMJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40FN3/c1-18(2)11-20(5-6-20)12-24-9-7-21(8-10-24)13-25(14-21)15-22(23)16-26(17-22)19(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-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-propan-2-ylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171748368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).