1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C16H23FN4 — CID 79499319

IUPAC1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccc(F)cc1
InChIInChI=1S/C16H23FN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H2,18,19)
InChIKeySAQFZQWKNZHQIS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79499319) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79499319
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccc(F)cc1
InChIInChI=1S/C16H23FN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H2,18,19)
InChIKeySAQFZQWKNZHQIS-UHFFFAOYSA-N
XLogP2.20
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79499319) is 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCCN1CCC2(CC1)CN=C(N)N2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is SAQFZQWKNZHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H2,18,19).
What are the key properties of 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79499319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).