2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine

C21H25N3O — CID 134333602

IUPAC2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine
SMILESCC1(C)Oc2nccc(N)c2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H25N3O/c1-21(2)19(24-18-17(22)12-13-23-20(18)25-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,22,23)
InChIKeySGLWIRTWJWZQPI-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.00
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine

2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine (PubChem CID 134333602) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine
PubChem CID134333602
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine
SMILESCC1(C)Oc2nccc(N)c2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H25N3O/c1-21(2)19(24-18-17(22)12-13-23-20(18)25-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,22,23)
InChIKeySGLWIRTWJWZQPI-UHFFFAOYSA-N
XLogP5.00
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine?
The IUPAC name of 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine (CID 134333602) is 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine is CC1(C)Oc2nccc(N)c2N=C1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine?
The InChIKey is SGLWIRTWJWZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(2)19(24-18-17(22)12-13-23-20(18)25-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,22,23).
What are the key properties of 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine?
2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine has a molecular weight of 335.45 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine is sourced from PubChem (CID 134333602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).