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

C15H20FN3O — CID 79521544

IUPAC1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-14(2)9-15(7-8-20-14)10-18-13(17)19(15)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3,(H2,17,18)
InChIKeyCETOMCRCZNDHBU-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds1

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

1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79521544) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79521544
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-14(2)9-15(7-8-20-14)10-18-13(17)19(15)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3,(H2,17,18)
InChIKeyCETOMCRCZNDHBU-UHFFFAOYSA-N
XLogP2.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521112
1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79513978
1-(2-fluorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521117
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515050
5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502661
1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514648
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79947415
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79514020

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79521544) is 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is CETOMCRCZNDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-14(2)9-15(7-8-20-14)10-18-13(17)19(15)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79521544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).