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

C17H30F3N3 — CID 154671435

IUPAC2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1
InChIInChI=1S/C17H30F3N3/c1-3-7-22-10-14(11-22)15(17(18,19)20)23-8-5-16(6-9-23)12-21(4-2)13-16/h14-15H,3-13H2,1-2H3
InChIKeyULMBANHAIVVJAB-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.68
Rot. Bonds5

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

2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 154671435) has the molecular formula C17H30F3N3 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
PubChem CID154671435
Molecular FormulaC17H30F3N3
Molecular Weight333.44 g/mol
Exact Mass333.24
IUPAC Name2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1
InChIInChI=1S/C17H30F3N3/c1-3-7-22-10-14(11-22)15(17(18,19)20)23-8-5-16(6-9-23)12-21(4-2)13-16/h14-15H,3-13H2,1-2H3
InChIKeyULMBANHAIVVJAB-UHFFFAOYSA-N
XLogP2.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane (CID 154671435) is 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane is CCCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1.
What is the InChIKey of 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ULMBANHAIVVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3/c1-3-7-22-10-14(11-22)15(17(18,19)20)23-8-5-16(6-9-23)12-21(4-2)13-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 333.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).