1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C16H22FN3 — CID 79521444

IUPAC1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-12-4-3-8-16(9-7-12)11-19-15(18)20(16)14-6-2-5-13(17)10-14/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H2,18,19)
InChIKeyQOIMSPCWAPPXAC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.30
Rot. Bonds1

About 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79521444) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79521444
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-12-4-3-8-16(9-7-12)11-19-15(18)20(16)14-6-2-5-13(17)10-14/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H2,18,19)
InChIKeyQOIMSPCWAPPXAC-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79521444) is 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is CC1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is QOIMSPCWAPPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12-4-3-8-16(9-7-12)11-19-15(18)20(16)14-6-2-5-13(17)10-14/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H2,18,19).
What are the key properties of 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79521444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).