1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C14H19FN4 — CID 114502286

IUPAC1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CNCCC12CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-10-8-17-6-5-14(10)9-18-13(16)19(14)12-4-2-3-11(15)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyCTUBBMMLEZAUIG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 114502286) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID114502286
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CNCCC12CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-10-8-17-6-5-14(10)9-18-13(16)19(14)12-4-2-3-11(15)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyCTUBBMMLEZAUIG-UHFFFAOYSA-N
XLogP1.33
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 114502286) is 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CC1CNCCC12CN=C(N)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is CTUBBMMLEZAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-10-8-17-6-5-14(10)9-18-13(16)19(14)12-4-2-3-11(15)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18).
What are the key properties of 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 262.33 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 114502286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).