9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C16H23FN4 — CID 79503079

IUPAC9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H23FN4/c1-2-20-9-4-7-16(8-10-20)12-19-15(18)21(16)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3,(H2,18,19)
InChIKeyULEZRQSPCRLRLT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.20
Rot. Bonds2

About 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79503079) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79503079
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H23FN4/c1-2-20-9-4-7-16(8-10-20)12-19-15(18)21(16)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3,(H2,18,19)
InChIKeyULEZRQSPCRLRLT-UHFFFAOYSA-N
XLogP2.20
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79503079) is 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCN1CCCC2(CC1)CN=C(N)N2c1cccc(F)c1.
What is the InChIKey of 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is ULEZRQSPCRLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-2-20-9-4-7-16(8-10-20)12-19-15(18)21(16)14-6-3-5-13(17)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3,(H2,18,19).
What are the key properties of 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79503079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).