2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane

C18H32F3N3 — CID 155044788

IUPAC2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(C(N2CCC3(CC2)CN(C(C)C)C3)C(F)(F)F)C1
InChIInChI=1S/C18H32F3N3/c1-4-7-22-10-15(11-22)16(18(19,20)21)23-8-5-17(6-9-23)12-24(13-17)14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyPJXCVFPXKVBKIH-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.07
Rot. Bonds5

About 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane

2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 155044788) has the molecular formula C18H32F3N3 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
PubChem CID155044788
Molecular FormulaC18H32F3N3
Molecular Weight347.47 g/mol
Exact Mass347.25
IUPAC Name2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(C(N2CCC3(CC2)CN(C(C)C)C3)C(F)(F)F)C1
InChIInChI=1S/C18H32F3N3/c1-4-7-22-10-15(11-22)16(18(19,20)21)23-8-5-17(6-9-23)12-24(13-17)14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyPJXCVFPXKVBKIH-UHFFFAOYSA-N
XLogP3.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane (CID 155044788) is 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane is CCCN1CC(C(N2CCC3(CC2)CN(C(C)C)C3)C(F)(F)F)C1.
What is the InChIKey of 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is PJXCVFPXKVBKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3/c1-4-7-22-10-15(11-22)16(18(19,20)21)23-8-5-17(6-9-23)12-24(13-17)14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 347.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).