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

C16H22FN3O — CID 79502347

IUPAC1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3O/c1-11(2)14-9-16(6-7-21-14)10-19-15(18)20(16)13-5-3-4-12(17)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19)
InChIKeyPWCAWAMUGGNYEY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.53
Rot. Bonds2

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

1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79502347) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79502347
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2c1cccc(F)c1
InChIInChI=1S/C16H22FN3O/c1-11(2)14-9-16(6-7-21-14)10-19-15(18)20(16)13-5-3-4-12(17)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19)
InChIKeyPWCAWAMUGGNYEY-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79502347) is 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-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)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PWCAWAMUGGNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11(2)14-9-16(6-7-21-14)10-19-15(18)20(16)13-5-3-4-12(17)8-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19).
What are the key properties of 1-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-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-(3-fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79502347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).