1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H22FN3O — CID 79502540

IUPAC1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-11(2)14-9-16(7-8-21-14)10-19-15(18)20(16)13-6-4-3-5-12(13)17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19)
InChIKeyVGNHNABNAVWHOE-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.53
Rot. Bonds2

About 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79502540) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79502540
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-11(2)14-9-16(7-8-21-14)10-19-15(18)20(16)13-6-4-3-5-12(13)17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19)
InChIKeyVGNHNABNAVWHOE-UHFFFAOYSA-N
XLogP2.53
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-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 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79502540) is 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)C1CC2(CCO1)CN=C(N)N2c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is VGNHNABNAVWHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11(2)14-9-16(7-8-21-14)10-19-15(18)20(16)13-6-4-3-5-12(13)17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79502540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).