1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine

C16H22FN3 — CID 79514881

IUPAC1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESNC1=NCC2(CCCCCCC2)N1c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c17-13-7-6-8-14(11-13)20-15(18)19-12-16(20)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2,(H2,18,19)
InChIKeyWJCBHCVYZREHAP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds1

About 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine

1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine (PubChem CID 79514881) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
PubChem CID79514881
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESNC1=NCC2(CCCCCCC2)N1c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c17-13-7-6-8-14(11-13)20-15(18)19-12-16(20)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2,(H2,18,19)
InChIKeyWJCBHCVYZREHAP-UHFFFAOYSA-N
XLogP3.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine (CID 79514881) is 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine is NC1=NCC2(CCCCCCC2)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The InChIKey is WJCBHCVYZREHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-13-7-6-8-14(11-13)20-15(18)19-12-16(20)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2,(H2,18,19).
What are the key properties of 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine is sourced from PubChem (CID 79514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).