2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline

C16H24FN3 — CID 70887019

IUPAC2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline
SMILESCCNc1cc(F)ccc1N1CCCC2(CCNC2)C1
InChIInChI=1S/C16H24FN3/c1-2-19-14-10-13(17)4-5-15(14)20-9-3-6-16(12-20)7-8-18-11-16/h4-5,10,18-19H,2-3,6-9,11-12H2,1H3
InChIKeyUDNYUSKASGLOFR-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline

2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline (PubChem CID 70887019) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline
PubChem CID70887019
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline
SMILESCCNc1cc(F)ccc1N1CCCC2(CCNC2)C1
InChIInChI=1S/C16H24FN3/c1-2-19-14-10-13(17)4-5-15(14)20-9-3-6-16(12-20)7-8-18-11-16/h4-5,10,18-19H,2-3,6-9,11-12H2,1H3
InChIKeyUDNYUSKASGLOFR-UHFFFAOYSA-N
XLogP2.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline?
The IUPAC name of 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline (CID 70887019) is 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline.
What is the SMILES notation for 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline?
The canonical SMILES for 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline is CCNc1cc(F)ccc1N1CCCC2(CCNC2)C1.
What is the InChIKey of 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline?
The InChIKey is UDNYUSKASGLOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-19-14-10-13(17)4-5-15(14)20-9-3-6-16(12-20)7-8-18-11-16/h4-5,10,18-19H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline?
2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline has a molecular weight of 277.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.5]decan-7-yl)-N-ethyl-5-fluoroaniline is sourced from PubChem (CID 70887019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).